 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer01_STD_M11_augccpVDZ.in
 Output=26_junionone_conformer01_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-24138.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     24140.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer01_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:09:07 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer01_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.843861000000      0.588513000000      1.590318000000
  C                                                -2.018204000000      0.424265000000      0.084751000000
  C                                                -0.856893000000     -0.408703000000     -0.589828000000
  C                                                 0.485225000000     -0.407760000000      0.025693000000
  C                                                 1.609556000000      0.001394000000     -0.566648000000
  C                                                 2.918071000000     -0.019332000000      0.133614000000
  O                                                 3.039154000000     -0.402492000000      1.280585000000
  C                                                -2.305460000000      1.761314000000     -0.573782000000
  C                                                -2.977579000000     -0.750179000000     -0.258376000000
  C                                                -1.752114000000     -1.669731000000     -0.448443000000
  C                                                 4.104594000000      0.468016000000     -0.666946000000
  H                                                -3.507633000000     -0.576978000000     -1.196011000000
  H                                                -3.702742000000     -1.029046000000      0.506445000000
  H                                                -0.787609000000     -0.115682000000     -1.639725000000
  H                                                -1.511957000000     -2.231397000000      0.454425000000
  H                                                -1.756468000000     -2.357491000000     -1.292692000000
  H                                                -1.649939000000     -0.363032000000      2.087921000000
  H                                                -2.753812000000      1.008771000000      2.024721000000
  H                                                -1.016421000000      1.262039000000      1.822785000000
  H                                                -1.480256000000      2.460114000000     -0.412932000000
  H                                                -3.210529000000      2.213045000000     -0.158939000000
  H                                                -2.448800000000      1.648912000000     -1.650360000000
  H                                                 0.569847000000     -0.762540000000      1.049131000000
  H                                                 1.593223000000      0.362635000000     -1.590100000000
  H                                                 4.223011000000     -0.138714000000     -1.568854000000
  H                                                 5.009053000000      0.415379000000     -0.066038000000
  H                                                 3.937783000000      1.497147000000     -0.996563000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:09:08 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.843861    0.588513    1.590318
      2          6           0       -2.018204    0.424265    0.084751
      3          6           0       -0.856893   -0.408703   -0.589828
      4          6           0        0.485225   -0.407760    0.025693
      5          6           0        1.609556    0.001394   -0.566648
      6          6           0        2.918071   -0.019332    0.133614
      7          8           0        3.039154   -0.402492    1.280585
      8          6           0       -2.305460    1.761314   -0.573782
      9          6           0       -2.977579   -0.750179   -0.258376
     10          6           0       -1.752114   -1.669731   -0.448443
     11          6           0        4.104594    0.468016   -0.666946
     12          1           0       -3.507633   -0.576978   -1.196011
     13          1           0       -3.702742   -1.029046    0.506445
     14          1           0       -0.787609   -0.115682   -1.639725
     15          1           0       -1.511957   -2.231397    0.454425
     16          1           0       -1.756468   -2.357491   -1.292692
     17          1           0       -1.649939   -0.363032    2.087921
     18          1           0       -2.753812    1.008771    2.024721
     19          1           0       -1.016421    1.262039    1.822785
     20          1           0       -1.480256    2.460114   -0.412932
     21          1           0       -3.210529    2.213045   -0.158939
     22          1           0       -2.448800    1.648912   -1.650360
     23          1           0        0.569847   -0.762540    1.049131
     24          1           0        1.593223    0.362635   -1.590100
     25          1           0        4.223011   -0.138714   -1.568854
     26          1           0        5.009053    0.415379   -0.066038
     27          1           0        3.937783    1.497147   -0.996563
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524502   0.000000
     3  C    2.592601   1.580359   0.000000
     4  C    2.977457   2.638733   1.476532   0.000000
     5  C    4.113794   3.709957   2.500417   1.335064   0.000000
     6  C    5.016718   4.956408   3.863332   2.466022   1.484253
     7  O    4.992180   5.262168   4.321766   2.845582   2.370473
     8  C    2.504369   1.517854   2.609133   3.584993   4.292403
     9  C    2.548545   1.554817   2.173425   3.491269   4.658508
    10  C    3.043785   2.177135   1.552933   2.612099   3.755989
    11  C    6.363480   6.168924   5.038942   3.787686   2.540278
    12  H    3.448208   2.204821   2.724371   4.179008   5.188086
    13  H    2.691973   2.264422   3.112153   4.261008   5.516688
    14  H    3.470553   2.186258   1.092220   2.116373   2.628992
    15  H    3.058154   2.728642   2.200406   2.738284   3.971371
    16  H    4.122902   3.115128   2.258545   3.250350   4.173919
    17  H    1.091170   2.183608   2.793089   2.968789   4.219461
    18  H    1.092398   2.155516   3.527520   4.061285   5.173875
    19  H    1.091941   2.173982   2.938967   2.876232   3.767542
    20  H    2.765522   2.163737   2.941086   3.504313   3.951692
    21  H    2.750779   2.163506   3.549483   4.534458   5.318914
    22  H    3.463003   2.166976   2.809391   3.955699   4.512095
    23  H    2.818548   3.006084   2.201584   1.086487   2.067688
    24  H    4.688243   3.981373   2.756551   2.105221   1.085457
    25  H    6.878674   6.481059   5.180426   4.072593   2.802534
    26  H    7.052370   7.028880   5.946662   4.599021   3.461008
    27  H    6.398826   6.147690   5.175579   4.073553   2.800490
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215325   0.000000
     8  C    5.563846   6.056867   0.000000
     9  C    5.953695   6.220158   2.618935   0.000000
    10  C    4.987307   5.248970   3.477639   1.543848   0.000000
    11  C    1.512032   2.384497   6.539885   7.197785   6.238488
    12  H    6.585480   7.001742   2.701851   1.090924   2.198821
    13  H    6.707734   6.815059   3.302332   1.090220   2.264341
    14  H    4.109267   4.822301   2.638791   2.665836   2.182771
    15  H    4.961985   4.973937   4.198642   2.202303   1.090098
    16  H    5.417809   5.782886   4.216963   2.268121   1.088939
    17  H    4.980378   4.758250   3.468028   2.723531   2.855003
    18  H    6.066592   6.008648   2.742181   2.890763   3.780782
    19  H    4.469389   4.417277   2.766664   3.496626   3.780872
    20  H    5.078548   5.611379   1.093232   3.545680   4.138936
    21  H    6.529076   6.926168   1.093300   2.974029   4.157732
    22  H    5.896516   6.551056   1.091879   2.823626   3.597689
    23  H    2.627677   2.506129   4.155848   3.780735   2.908131
    24  H    2.207331   3.304084   4.264849   4.889179   4.077398
    25  H    2.148376   3.096837   6.871769   7.344368   6.269087
    26  H    2.145004   2.522461   7.454626   8.073525   7.085711
    27  H    2.148679   3.098639   6.263115   7.308736   6.534866
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.701813   0.000000
    13  H    8.035704   1.772227   0.000000
    14  H    5.022017   2.794317   3.733401   0.000000
    15  H    6.331662   3.073071   2.499579   3.063722   0.000000
    16  H    6.536597   2.499230   2.964733   2.466744   1.768644
    17  H    6.433862   3.779022   2.675564   3.834076   2.485586
    18  H    7.387504   3.668237   2.712624   4.307959   3.808769
    19  H    5.749263   4.324494   3.768042   3.733557   3.784450
    20  H    5.934941   3.734622   4.237798   2.935900   4.771120
    21  H    7.537521   2.991324   3.346067   3.672361   4.797335
    22  H    6.731166   2.506421   3.660005   2.423522   4.512715
    23  H    4.117478   4.658427   4.315154   3.080756   2.616319
    24  H    2.677742   5.201626   5.863405   2.428911   4.533346
    25  H    1.093427   7.752028   8.241184   5.011174   6.431395
    26  H    1.087156   8.648442   8.849264   6.029909   7.056903
    27  H    1.093428   7.731494   8.186471   5.034303   6.760701
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.926545   0.000000
    18  H    4.830284   1.761923   0.000000
    19  H    4.832687   1.764227   1.767329   0.000000
    20  H    4.905057   3.775343   3.109742   2.578557   0.000000
    21  H    4.928437   3.757658   2.535200   3.105761   1.766182
    22  H    4.081484   4.319820   3.742864   3.776787   1.768433
    23  H    3.666026   2.483172   3.890505   2.685834   4.089749
    24  H    4.325271   4.957069   5.690443   4.389414   3.902745
    25  H    6.383839   6.921984   7.931366   6.396638   6.373172
    26  H    7.413890   7.041849   8.061356   6.371093   6.812665
    27  H    6.882617   6.648078   7.358268   5.705097   5.533812
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.767148   0.000000
    23  H    4.960321   4.713235   0.000000
    24  H    5.343058   4.242180   3.046122   0.000000
    25  H    7.923140   6.907627   4.537468   2.677235   0.000000
    26  H    8.414378   7.723422   4.726272   3.740781   1.784191
    27  H    7.232737   6.421754   4.542471   2.671398   1.756392
                   26         27
    26  H    0.000000
    27  H    1.784298   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.01D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.843861    0.588513    1.590318
      2          6           0       -2.018204    0.424265    0.084751
      3          6           0       -0.856893   -0.408703   -0.589828
      4          6           0        0.485225   -0.407760    0.025693
      5          6           0        1.609556    0.001394   -0.566648
      6          6           0        2.918071   -0.019332    0.133614
      7          8           0        3.039154   -0.402492    1.280585
      8          6           0       -2.305460    1.761314   -0.573782
      9          6           0       -2.977579   -0.750179   -0.258376
     10          6           0       -1.752114   -1.669731   -0.448443
     11          6           0        4.104594    0.468016   -0.666946
     12          1           0       -3.507633   -0.576978   -1.196011
     13          1           0       -3.702742   -1.029046    0.506445
     14          1           0       -0.787609   -0.115682   -1.639725
     15          1           0       -1.511957   -2.231397    0.454425
     16          1           0       -1.756468   -2.357491   -1.292692
     17          1           0       -1.649939   -0.363032    2.087921
     18          1           0       -2.753812    1.008771    2.024721
     19          1           0       -1.016421    1.262039    1.822785
     20          1           0       -1.480256    2.460114   -0.412932
     21          1           0       -3.210529    2.213045   -0.158939
     22          1           0       -2.448800    1.648912   -1.650360
     23          1           0        0.569847   -0.762540    1.049131
     24          1           0        1.593223    0.362635   -1.590100
     25          1           0        4.223011   -0.138714   -1.568854
     26          1           0        5.009053    0.415379   -0.066038
     27          1           0        3.937783    1.497147   -0.996563
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1966492           0.4951118           0.4859240
 Leave Link  202 at Thu Aug 12 21:09:08 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       607.0736928418 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:09:11 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.84D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 21:09:12 2021, MaxMem=  5368709120 cpu:               6.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:09:12 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer01_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:09:13 2021, MaxMem=  5368709120 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.624408993077    
 DIIS: error= 3.34D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.624408993077     IErMin= 1 ErrMin= 3.34D-03
 ErrMax= 3.34D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-02 BMatP= 1.31D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.34D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 GapD=    0.376 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.16D-02 MaxDP=6.71D+00              OVMax= 2.16D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.40D-02    CP:  1.79D+00
 E= -465.637549953323     Delta-E=       -0.013140960246 Rises=F Damp=F
 DIIS: error= 6.15D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.637549953323     IErMin= 2 ErrMin= 6.15D-04
 ErrMax= 6.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.82D-04 BMatP= 1.31D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.15D-03
 Coeff-Com: -0.731D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.727D-02 0.101D+01
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=7.24D-03 MaxDP=1.20D+00 DE=-1.31D-02 OVMax= 9.31D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.59D-03    CP:  1.93D+00  1.17D+00
 E= -465.637748255362     Delta-E=       -0.000198302039 Rises=F Damp=F
 DIIS: error= 8.38D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.637748255362     IErMin= 2 ErrMin= 6.15D-04
 ErrMax= 8.38D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.90D-04 BMatP= 5.82D-04
 IDIUse=3 WtCom= 2.57D-01 WtEn= 7.43D-01
 Coeff-Com: -0.492D-01 0.551D+00 0.499D+00
 Coeff-En:   0.000D+00 0.364D+00 0.636D+00
 Coeff:     -0.126D-01 0.412D+00 0.600D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=5.16D-04 MaxDP=7.63D-02 DE=-1.98D-04 OVMax= 6.75D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.18D-04    CP:  1.94D+00  1.18D+00  1.06D+00
 E= -465.638158848542     Delta-E=       -0.000410593180 Rises=F Damp=F
 DIIS: error= 3.45D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.638158848542     IErMin= 4 ErrMin= 3.45D-04
 ErrMax= 3.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-04 BMatP= 5.82D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.45D-03
 Coeff-Com: -0.575D-02-0.489D-01 0.281D+00 0.774D+00
 Coeff-En:   0.000D+00 0.000D+00 0.113D+00 0.887D+00
 Coeff:     -0.573D-02-0.488D-01 0.280D+00 0.774D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.62D-04 MaxDP=5.74D-02 DE=-4.11D-04 OVMax= 2.50D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.11D-04    CP:  1.95D+00  1.18D+00  1.15D+00  1.06D+00
 E= -465.638244983819     Delta-E=       -0.000086135277 Rises=F Damp=F
 DIIS: error= 5.63D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.638244983819     IErMin= 5 ErrMin= 5.63D-05
 ErrMax= 5.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.54D-06 BMatP= 1.16D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.204D-02-0.714D-01 0.686D-01 0.324D+00 0.676D+00
 Coeff:      0.204D-02-0.714D-01 0.686D-01 0.324D+00 0.676D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=4.69D-05 MaxDP=2.54D-03 DE=-8.61D-05 OVMax= 5.39D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.84D-05    CP:  1.95D+00  1.18D+00  1.17D+00  1.08D+00  1.13D+00
 E= -465.638247934423     Delta-E=       -0.000002950604 Rises=F Damp=F
 DIIS: error= 1.10D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.638247934423     IErMin= 6 ErrMin= 1.10D-05
 ErrMax= 1.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-07 BMatP= 2.54D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-02-0.152D-01-0.130D-01 0.536D-02 0.176D+00 0.846D+00
 Coeff:      0.134D-02-0.152D-01-0.130D-01 0.536D-02 0.176D+00 0.846D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=2.44D-05 MaxDP=3.49D-03 DE=-2.95D-06 OVMax= 3.33D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.01D-05    CP:  1.95D+00  1.18D+00  1.17D+00  1.10D+00  1.19D+00
                    CP:  1.16D+00
 E= -465.638248234221     Delta-E=       -0.000000299798 Rises=F Damp=F
 DIIS: error= 4.84D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.638248234221     IErMin= 7 ErrMin= 4.84D-06
 ErrMax= 4.84D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-08 BMatP= 1.55D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.960D-04 0.451D-02-0.109D-01-0.366D-01-0.380D-01 0.260D+00
 Coeff-Com:  0.821D+00
 Coeff:      0.960D-04 0.451D-02-0.109D-01-0.366D-01-0.380D-01 0.260D+00
 Coeff:      0.821D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=7.34D-06 MaxDP=9.52D-04 DE=-3.00D-07 OVMax= 1.10D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.77D-06    CP:  1.95D+00  1.18D+00  1.16D+00  1.10D+00  1.20D+00
                    CP:  1.21D+00  1.13D+00
 E= -465.638248281545     Delta-E=       -0.000000047324 Rises=F Damp=F
 DIIS: error= 1.40D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.638248281545     IErMin= 8 ErrMin= 1.40D-06
 ErrMax= 1.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-09 BMatP= 2.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.134D-03 0.264D-02-0.417D-03-0.861D-02-0.337D-01-0.444D-01
 Coeff-Com:  0.146D+00 0.939D+00
 Coeff:     -0.134D-03 0.264D-02-0.417D-03-0.861D-02-0.337D-01-0.444D-01
 Coeff:      0.146D+00 0.939D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=2.46D-06 MaxDP=2.89D-04 DE=-4.73D-08 OVMax= 5.74D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.37D-06    CP:  1.95D+00  1.18D+00  1.16D+00  1.10D+00  1.20D+00
                    CP:  1.21D+00  1.21D+00  1.28D+00
 E= -465.638248287593     Delta-E=       -0.000000006048 Rises=F Damp=F
 DIIS: error= 4.19D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.638248287593     IErMin= 9 ErrMin= 4.19D-07
 ErrMax= 4.19D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.46D-10 BMatP= 2.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.405D-04 0.238D-03 0.104D-02 0.130D-02-0.619D-02-0.308D-01
 Coeff-Com: -0.549D-01 0.254D+00 0.836D+00
 Coeff:     -0.405D-04 0.238D-03 0.104D-02 0.130D-02-0.619D-02-0.308D-01
 Coeff:     -0.549D-01 0.254D+00 0.836D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.61D-06 MaxDP=2.60D-04 DE=-6.05D-09 OVMax= 1.55D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.08D-07    CP:  1.95D+00  1.18D+00  1.16D+00  1.10D+00  1.20D+00
                    CP:  1.21D+00  1.22D+00  1.38D+00  1.10D+00
 E= -465.638248288322     Delta-E=       -0.000000000729 Rises=F Damp=F
 DIIS: error= 1.80D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.638248288322     IErMin=10 ErrMin= 1.80D-07
 ErrMax= 1.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-11 BMatP= 3.46D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D-04-0.377D-03 0.420D-03 0.182D-02 0.346D-02 0.202D-02
 Coeff-Com: -0.462D-01-0.719D-01 0.211D+00 0.900D+00
 Coeff:      0.100D-04-0.377D-03 0.420D-03 0.182D-02 0.346D-02 0.202D-02
 Coeff:     -0.462D-01-0.719D-01 0.211D+00 0.900D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=8.06D-07 MaxDP=1.27D-04 DE=-7.29D-10 OVMax= 7.37D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.84D-07    CP:  1.95D+00  1.18D+00  1.16D+00  1.10D+00  1.20D+00
                    CP:  1.20D+00  1.21D+00  1.41D+00  1.22D+00  1.44D+00
 E= -465.638248288377     Delta-E=       -0.000000000055 Rises=F Damp=F
 DIIS: error= 5.54D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.638248288377     IErMin=11 ErrMin= 5.54D-08
 ErrMax= 5.54D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-12 BMatP= 4.65D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.552D-05-0.704D-04-0.534D-04 0.567D-04 0.869D-03 0.456D-02
 Coeff-Com: -0.282D-02-0.306D-01-0.729D-01 0.107D+00 0.994D+00
 Coeff:      0.552D-05-0.704D-04-0.534D-04 0.567D-04 0.869D-03 0.456D-02
 Coeff:     -0.282D-02-0.306D-01-0.729D-01 0.107D+00 0.994D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.66D-07 MaxDP=2.12D-05 DE=-5.48D-11 OVMax= 2.30D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.16D-08    CP:  1.95D+00  1.18D+00  1.16D+00  1.10D+00  1.20D+00
                    CP:  1.20D+00  1.21D+00  1.41D+00  1.26D+00  1.61D+00
                    CP:  1.31D+00
 E= -465.638248288315     Delta-E=        0.000000000062 Rises=F Damp=F
 DIIS: error= 1.39D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.638248288377     IErMin=12 ErrMin= 1.39D-08
 ErrMax= 1.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.70D-13 BMatP= 4.65D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.655D-06 0.360D-04-0.483D-04-0.199D-03-0.344D-03 0.603D-03
 Coeff-Com:  0.394D-02 0.663D-02-0.324D-01-0.831D-01 0.105D+00 0.100D+01
 Coeff:     -0.655D-06 0.360D-04-0.483D-04-0.199D-03-0.344D-03 0.603D-03
 Coeff:      0.394D-02 0.663D-02-0.324D-01-0.831D-01 0.105D+00 0.100D+01
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=5.62D-08 MaxDP=6.50D-06 DE= 6.21D-11 OVMax= 6.90D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.68D-08    CP:  1.95D+00  1.18D+00  1.16D+00  1.10D+00  1.20D+00
                    CP:  1.20D+00  1.21D+00  1.41D+00  1.27D+00  1.68D+00
                    CP:  1.45D+00  1.22D+00
 E= -465.638248288334     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 4.99D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -465.638248288377     IErMin=13 ErrMin= 4.99D-09
 ErrMax= 4.99D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.11D-14 BMatP= 3.70D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.565D-06 0.127D-04-0.467D-05-0.471D-04-0.145D-03-0.213D-03
 Coeff-Com:  0.851D-03 0.399D-02-0.117D-02-0.240D-01-0.666D-01 0.191D+00
 Coeff-Com:  0.896D+00
 Coeff:     -0.565D-06 0.127D-04-0.467D-05-0.471D-04-0.145D-03-0.213D-03
 Coeff:      0.851D-03 0.399D-02-0.117D-02-0.240D-01-0.666D-01 0.191D+00
 Coeff:      0.896D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.47D-08 MaxDP=1.83D-06 DE=-1.96D-11 OVMax= 1.75D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.35D-09    CP:  1.95D+00  1.18D+00  1.16D+00  1.10D+00  1.20D+00
                    CP:  1.20D+00  1.21D+00  1.41D+00  1.27D+00  1.69D+00
                    CP:  1.48D+00  1.32D+00  1.17D+00
 E= -465.638248288382     Delta-E=       -0.000000000047 Rises=F Damp=F
 DIIS: error= 2.10D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -465.638248288382     IErMin=14 ErrMin= 2.10D-09
 ErrMax= 2.10D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.93D-15 BMatP= 4.11D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.356D-08-0.255D-05 0.518D-05 0.158D-04 0.224D-04-0.872D-04
 Coeff-Com: -0.387D-03-0.237D-03 0.358D-02 0.758D-02-0.209D-01-0.951D-01
 Coeff-Com:  0.117D+00 0.989D+00
 Coeff:      0.356D-08-0.255D-05 0.518D-05 0.158D-04 0.224D-04-0.872D-04
 Coeff:     -0.387D-03-0.237D-03 0.358D-02 0.758D-02-0.209D-01-0.951D-01
 Coeff:      0.117D+00 0.989D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=4.77D-09 MaxDP=5.10D-07 DE=-4.73D-11 OVMax= 1.04D-07

 SCF Done:  E(RM11) =  -465.638248288     A.U. after   14 cycles
            NFock= 14  Conv=0.48D-08     -V/T= 2.0067
 KE= 4.625385764548D+02 PE=-2.295150587833D+03 EE= 7.599000702481D+02
 Leave Link  502 at Thu Aug 12 21:22:02 2021, MaxMem=  5368709120 cpu:            6144.4 elap:             768.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.98409208D+02

 Leave Link  801 at Thu Aug 12 21:22:02 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 3.24D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.54D-01 3.95D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 2.69D-02 6.64D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 3.23D-03 1.12D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 2.67D-04 1.93D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 2.40D-05 5.79D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 1.02D-06 1.30D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 3.59D-08 3.17D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 1.13D-09 4.99D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 3.24D-11 5.54D-07.
      8 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 7.78D-13 9.06D-08.
      4 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 2.00D-14 1.27D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.173201D+03
      2  0.564181D+01  0.111455D+03
      3 -0.299436D+01 -0.284379D+01  0.115759D+03
 Isotropic polarizability for W=    0.085645      133.47 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.773347D+02  0.272877D+02 -0.844639D-01
      2  -0.650249D+02  0.139813D+00  0.369221D+01
      3  -0.123097D+02 -0.274275D+02 -0.360775D+01
      4   0.363648D+02 -0.988890D+02 -0.338682D+02
      5  -0.252887D+02 -0.334024D+02 -0.148911D+02
      6  -0.149427D+02 -0.280858D+02  0.102568D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.464456D+01 -0.759478D+01 -0.739274D+01
      2   0.315214D+02 -0.112980D+02 -0.792864D+01
      3  -0.244978D+02  0.413534D+02  0.151178D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.465734D+00 -0.317780D+02 -0.376842D+02
      2   0.252042D+02 -0.189254D+02 -0.258143D+01
      3   0.907717D+01  0.338641D+02  0.184597D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.202629D+01 -0.680339D+01  0.439675D+01
      2  -0.680339D+01  0.505250D+00 -0.444587D+01
      3   0.439675D+01 -0.444587D+01 -0.335638D+01
 OR G Eigenvalues:    -6.2746    -5.4045    10.8542  Iso=     0.2749
 Eigenvectors:
   (1)   0.035871   0.572934   0.818816
   (2)   0.735942   0.539165  -0.409500
   (3)   0.676093  -0.617291   0.402306
 w=    0.085645 a.u., Optical Rotation Beta=      0.2749 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       85.66 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 4.54D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.88D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 3.89D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 3.37D-02 3.32D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 5.17D-03 1.59D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 7.17D-05 1.03D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 1.32D-06 1.01D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 2.69D-08 1.25D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 3.28D-10 1.92D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 3.19D-12 1.60D-07.
     16 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 3.26D-14 1.35D-08.
      2 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 6.04D-16 2.89D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.54D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.54D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.43D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.173201D+03  0.564181D+01 -0.299436D+01
      2   0.564181D+01  0.111455D+03 -0.284379D+01
      3  -0.299436D+01 -0.284379D+01  0.115759D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.464456D+01 -0.759478D+01 -0.739274D+01
      2   0.315214D+02 -0.112980D+02 -0.792864D+01
      3  -0.244978D+02  0.413534D+02  0.151178D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.773347D+02  0.272877D+02 -0.844639D-01
      2  -0.650249D+02  0.139813D+00  0.369221D+01
      3  -0.123097D+02 -0.274275D+02 -0.360775D+01
      4   0.363648D+02 -0.988890D+02 -0.338682D+02
      5  -0.252887D+02 -0.334024D+02 -0.148911D+02
      6  -0.149427D+02 -0.280858D+02  0.102568D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.371167D+01 -0.458730D+01 -0.460881D+01 -0.491583D+01 -0.169941D+01
      2  -0.458730D+01 -0.181661D+01  0.921243D+00 -0.169941D+01  0.161938D+01
      3  -0.460881D+01  0.921243D+00  0.162406D+01  0.118146D+01 -0.402982D+01
                 6             7             8             9            10 
      1   0.118146D+01 -0.343498D+01  0.119045D+01  0.152760D+01 -0.221108D+02
      2  -0.402982D+01  0.119045D+01 -0.331628D+01  0.542807D+00  0.696181D+01
      3   0.968255D+00  0.152760D+01  0.542807D+00  0.319002D+01  0.400755D+01
                11            12            13            14            15 
      1   0.696181D+01  0.400755D+01  0.109480D+02 -0.322949D+00 -0.145846D+01
      2   0.147320D+01 -0.685208D+00 -0.322949D+00  0.109013D+01  0.318178D+01
      3  -0.685208D+00 -0.182240D+01 -0.145846D+01  0.318178D+01 -0.762485D-01
                16            17            18            19            20 
      1   0.139792D+02 -0.178864D+01 -0.265675D+01  0.473871D+02  0.135837D+00
      2  -0.178864D+01  0.423044D+01  0.572776D+00  0.135837D+00  0.459241D+01
      3  -0.265675D+01  0.572776D+00 -0.478272D+01 -0.108595D+01  0.126454D+01
                21            22            23            24            25 
      1  -0.108595D+01 -0.407590D+01  0.914577D+01  0.296748D+01 -0.368589D+01
      2   0.126454D+01  0.914577D+01  0.119337D+01 -0.631184D+00  0.245255D+01
      3   0.640802D+00  0.296748D+01 -0.631184D+00 -0.303611D+01  0.109117D+01
                26            27            28            29            30 
      1   0.245255D+01  0.109117D+01 -0.651813D+02 -0.368412D+01  0.638145D+00
      2  -0.134744D+01 -0.258338D+01 -0.368412D+01 -0.408824D+01 -0.903414D+00
      3  -0.258338D+01  0.500713D+01  0.638145D+00 -0.903414D+00 -0.160594D+01
                31            32            33            34            35 
      1  -0.113801D+02 -0.607867D+01 -0.155127D+01  0.945494D+01 -0.291814D+00
      2  -0.607867D+01 -0.327721D+01 -0.497450D+00 -0.291814D+00  0.109231D+01
      3  -0.155127D+01 -0.497450D+00  0.139582D+01 -0.221487D+01  0.183731D+01
                36            37            38            39            40 
      1  -0.221487D+01  0.598255D+02  0.341141D+01  0.262235D+01  0.131289D+02
      2   0.183731D+01  0.341141D+01  0.236330D+01  0.101285D+01  0.506806D+01
      3  -0.334921D+01  0.262235D+01  0.101285D+01  0.117210D+01  0.124369D+01
                41            42            43            44            45 
      1   0.506806D+01  0.124369D+01 -0.125884D+02 -0.420468D+00  0.398482D+01
      2   0.270154D+01 -0.486916D+00 -0.420468D+00 -0.203887D+01 -0.204603D+01
      3  -0.486916D+00 -0.191140D+01  0.398482D+01 -0.204603D+01  0.248868D+01
                46            47            48            49            50 
      1  -0.204560D+02 -0.113039D+01 -0.328130D+01  0.479423D+01  0.374480D+00
      2  -0.113039D+01  0.124616D+01  0.185853D+00  0.374480D+00  0.624430D+00
      3  -0.328130D+01  0.185853D+00  0.750724D+00  0.292120D+01 -0.973883D+00
                51            52            53            54            55 
      1   0.292120D+01 -0.233843D+02  0.110005D+01 -0.824917D+01  0.529254D+01
      2  -0.973883D+00  0.110005D+01  0.739266D+00  0.998815D+00 -0.753446D+00
      3   0.148575D+01 -0.824917D+01  0.998815D+00 -0.539714D+01  0.287629D+01
                56            57            58            59            60 
      1  -0.753446D+00  0.287629D+01 -0.804702D+01  0.184933D+01 -0.282086D+01
      2   0.242957D+00 -0.491153D+00  0.184933D+01 -0.195513D+01  0.296785D+01
      3  -0.491153D+00  0.106713D+01 -0.282086D+01  0.296785D+01 -0.160492D+01
                61            62            63            64            65 
      1   0.236042D+02 -0.579599D+00  0.941774D+01  0.700837D+01 -0.580041D+01
      2  -0.579599D+00  0.106950D+01 -0.145921D+01 -0.580041D+01 -0.145346D+01
      3   0.941774D+01 -0.145921D+01  0.106168D+02 -0.205292D+01  0.106446D+01
                66            67            68            69            70 
      1  -0.205292D+01 -0.568302D+01 -0.125118D+01  0.130080D+01 -0.523758D+01
      2   0.106446D+01 -0.125118D+01 -0.613979D+00 -0.264984D+01  0.158820D+01
      3   0.129282D+01  0.130080D+01 -0.264984D+01  0.125414D+01  0.178375D+01
                71            72            73            74            75 
      1   0.158820D+01  0.178375D+01  0.109683D+01  0.107917D+01 -0.117151D+01
      2  -0.321028D+01  0.497472D-01  0.107917D+01 -0.405878D+01 -0.197440D+01
      3   0.497472D-01  0.665448D+01 -0.117151D+01 -0.197440D+01  0.325381D+01
                76            77            78            79            80 
      1   0.172323D+01 -0.463033D+01 -0.288595D+01 -0.214800D+01 -0.274806D+01
      2  -0.463033D+01 -0.298060D+01 -0.117668D+01 -0.274806D+01 -0.162867D+01
      3  -0.288595D+01 -0.117668D+01 -0.790556D+00  0.493130D+01 -0.217591D+00
                81            82            83            84            85 
      1   0.493130D+01 -0.862839D+01 -0.708094D+01 -0.103976D+01 -0.861858D+01
      2  -0.217591D+00 -0.708094D+01 -0.201788D+01  0.100906D+01 -0.394150D+01
      3   0.221378D+01 -0.103976D+01  0.100906D+01 -0.614561D+00  0.643630D+00
                86            87            88            89            90 
      1  -0.394150D+01  0.643630D+00  0.542756D+01  0.216638D+01 -0.352734D+00
      2   0.162585D+01  0.139123D+01  0.216638D+01  0.260257D+01  0.500179D+01
      3   0.139123D+01  0.370139D+01 -0.352734D+00  0.500179D+01 -0.466804D+00
                91            92            93            94            95 
      1  -0.134553D+01  0.159958D+01 -0.474413D+01  0.305817D+01 -0.239497D+00
      2   0.159958D+01  0.105003D+01 -0.115272D+01 -0.239497D+00 -0.445315D+01
      3  -0.474413D+01 -0.115272D+01 -0.118166D+01 -0.104237D+01  0.352455D+01
                96            97            98            99           100 
      1  -0.104237D+01 -0.819333D+01 -0.121464D+01 -0.313057D+01 -0.484855D+01
      2   0.352455D+01 -0.121464D+01  0.286649D+01  0.126002D+01 -0.221547D+00
      3   0.175835D+01 -0.313057D+01  0.126002D+01  0.412066D+01 -0.266581D+01
               101           102           103           104           105 
      1  -0.221547D+00 -0.266581D+01  0.717104D+00 -0.552776D+00  0.749265D+00
      2  -0.427009D+00  0.125592D+00 -0.552776D+00  0.473503D+00 -0.683565D+00
      3   0.125592D+00 -0.251033D+01  0.749265D+00 -0.683565D+00  0.715365D+00
               106           107           108           109           110 
      1  -0.429357D+01  0.273572D+00 -0.421866D+01 -0.782011D+01 -0.205954D+01
      2   0.273572D+00 -0.137793D+01 -0.105897D+00 -0.205954D+01 -0.110499D+01
      3  -0.421866D+01 -0.105897D+00 -0.529647D+01  0.268533D+01  0.808253D+00
               111           112           113           114           115 
      1   0.268533D+01 -0.175251D+01 -0.146325D+01  0.916775D+00  0.532567D+01
      2   0.808253D+00 -0.146325D+01 -0.115914D+01  0.862085D+00  0.156717D+01
      3  -0.221577D+01  0.916775D+00  0.862085D+00 -0.597343D+00 -0.367751D+01
               116           117           118           119           120 
      1   0.156717D+01 -0.367751D+01  0.530090D+00  0.509511D+00 -0.963977D+00
      2   0.162875D+01 -0.914207D+00  0.509511D+00 -0.314948D+00 -0.213387D+00
      3  -0.914207D+00  0.273417D+01 -0.963977D+00 -0.213387D+00  0.326508D+00
               121           122           123           124           125 
      1   0.151395D+01 -0.637000D+00 -0.919961D-01 -0.949497D+00 -0.316802D-01
      2  -0.637000D+00  0.651979D+00 -0.103524D+01 -0.316802D-01 -0.139874D+01
      3  -0.919961D-01 -0.103524D+01  0.145554D+01 -0.199460D+00  0.974708D+00
               126           127           128           129           130 
      1  -0.199460D+00  0.772367D+00 -0.191455D+00  0.691915D+00  0.158225D+00
      2   0.974708D+00 -0.191455D+00  0.120427D+01 -0.557861D+00  0.399540D+00
      3  -0.701890D+01  0.691915D+00 -0.557861D+00  0.659064D+00 -0.271227D+00
               131           132           133           134           135 
      1   0.399540D+00 -0.271227D+00  0.130592D+01 -0.288515D+00  0.214412D+00
      2  -0.443140D+01  0.183583D+01 -0.288515D+00  0.340025D+01 -0.287234D+01
      3   0.183583D+01 -0.197367D+01  0.214412D+00 -0.287234D+01  0.353572D+01
               136           137           138           139           140 
      1   0.113163D+01 -0.507511D+00 -0.676845D+00  0.975327D+00 -0.735225D+00
      2  -0.507511D+00  0.309929D+00 -0.299161D-01 -0.735225D+00 -0.679294D+01
      3  -0.676845D+00 -0.299161D-01  0.984374D-01 -0.486604D+00 -0.339429D+01
               141           142           143           144           145 
      1  -0.486604D+00 -0.231031D+01 -0.118836D+01 -0.667758D+00  0.383586D+00
      2  -0.339429D+01 -0.118836D+01 -0.536207D+01 -0.437205D+01 -0.375375D+00
      3  -0.266935D+01 -0.667758D+00 -0.437205D+01 -0.413314D+01  0.104971D+01
               146           147           148           149           150 
      1  -0.375375D+00  0.104971D+01 -0.660172D+00  0.646028D+00 -0.117320D+00
      2   0.672672D+00 -0.336262D+00  0.646028D+00 -0.430638D+01  0.241025D+01
      3  -0.336262D+00  0.360854D+00 -0.117320D+00  0.241025D+01 -0.338685D+01
               151           152           153           154           155 
      1   0.818751D+00 -0.257701D+00  0.728375D-01 -0.672310D+01  0.255408D+01
      2  -0.257701D+00  0.203372D+01 -0.199272D+01  0.255408D+01 -0.167564D+01
      3   0.728375D-01 -0.199272D+01  0.292814D+01  0.383583D+01 -0.146694D+01
               156           157           158           159           160 
      1   0.383583D+01  0.211402D+01 -0.156656D+01 -0.133558D+01  0.194575D+01
      2  -0.146694D+01 -0.156656D+01  0.162594D+01  0.174289D+01 -0.994755D+00
      3  -0.365359D+01 -0.133558D+01  0.174289D+01  0.152125D+01 -0.250072D+01
               161           162           163           164           165 
      1  -0.994755D+00 -0.250072D+01  0.344834D+01  0.209074D+01  0.145935D+01
      2   0.106186D+01  0.112504D+01  0.209074D+01  0.233813D+01  0.111953D+01
      3   0.112504D+01  0.280874D+01  0.145935D+01  0.111953D+01  0.199472D+01
               166           167           168           169           170 
      1   0.192931D+01  0.165218D+01  0.586909D+00  0.607662D+00  0.435222D+00
      2   0.165218D+01  0.305539D+01  0.195098D+01  0.435222D+00  0.105631D+01
      3   0.586909D+00  0.195098D+01  0.179248D+01  0.824756D+00  0.957890D+00
               171           172           173           174           175 
      1   0.824756D+00  0.263093D+01  0.235285D+01  0.424644D+00  0.175999D+01
      2   0.957890D+00  0.235285D+01  0.421437D+01 -0.163368D+00  0.188828D+01
      3   0.131921D+01  0.424644D+00 -0.163368D+00  0.852885D+00  0.166460D-01
               176           177           178           179           180 
      1   0.188828D+01  0.166460D-01  0.813061D+00 -0.591754D-01  0.340451D+00
      2   0.554643D+01  0.251352D+00 -0.591754D-01  0.112142D+01  0.869993D+00
      3   0.251352D+00  0.660884D+00  0.340451D+00  0.869993D+00 -0.251802D+00
               181           182           183           184           185 
      1  -0.770561D+01  0.458221D+01  0.123266D+01  0.211938D+01 -0.273265D+01
      2   0.458221D+01 -0.337279D+01 -0.570303D+00 -0.273265D+01  0.324392D+01
      3   0.123266D+01 -0.570303D+00 -0.143447D+01 -0.663317D+00  0.770871D+00
               186           187           188           189           190 
      1  -0.663317D+00  0.315168D+01 -0.159431D+01 -0.153270D+01 -0.124682D+01
      2   0.770871D+00 -0.159431D+01  0.204361D+01  0.917836D+00  0.788980D+00
      3   0.462378D+00 -0.153270D+01  0.917836D+00  0.587162D+00 -0.100153D+01
               191           192           193           194           195 
      1   0.788980D+00 -0.100153D+01  0.227400D+00  0.466121D-01 -0.140409D+00
      2  -0.512899D-01  0.469599D-01  0.466121D-01 -0.137768D+00 -0.712147D+00
      3   0.469599D-01 -0.100518D+01 -0.140409D+00 -0.712147D+00 -0.435061D+00
               196           197           198           199           200 
      1  -0.131185D+01  0.409681D+00 -0.195336D+01 -0.162999D+01 -0.478322D+00
      2   0.409681D+00 -0.162360D+01  0.122072D+01 -0.478322D+00  0.345443D-01
      3  -0.195336D+01  0.122072D+01 -0.844944D+01  0.935246D+00 -0.630767D-01
               201           202           203           204           205 
      1   0.935246D+00 -0.115080D+01  0.883367D+00  0.295869D+00  0.173783D+01
      2  -0.630767D-01  0.883367D+00 -0.796674D+00  0.115123D+01  0.433258D+00
      3  -0.192127D-01  0.295869D+00  0.115123D+01 -0.128702D+01 -0.375252D+00
               206           207           208           209           210 
      1   0.433258D+00 -0.375252D+00  0.141738D+01  0.691564D+00 -0.125450D+01
      2   0.135178D+01 -0.126160D+01  0.691564D+00  0.504760D-01 -0.588128D-01
      3  -0.126160D+01  0.473667D+01 -0.125450D+01 -0.588128D-01 -0.249735D+00
               211           212           213           214           215 
      1   0.949386D+00 -0.230046D+00 -0.750708D+00 -0.180749D+01 -0.579087D+00
      2  -0.230046D+00  0.655478D+00 -0.975172D+00 -0.579087D+00 -0.132780D+01
      3  -0.750708D+00 -0.975172D+00  0.192661D+01  0.914316D+00  0.181605D+01
               216           217           218           219           220 
      1   0.914316D+00  0.248753D+01 -0.838942D+00 -0.652752D+00 -0.231852D+01
      2   0.181605D+01 -0.838942D+00  0.217680D+00  0.515659D+00  0.106258D+01
      3  -0.643863D+01 -0.652752D+00  0.515659D+00  0.843131D+00  0.139188D+01
               221           222           223           224           225 
      1   0.106258D+01  0.139188D+01 -0.319266D+01  0.356866D+00  0.319385D+01
      2  -0.148281D+01 -0.226188D+01  0.356866D+00 -0.223219D+01 -0.178754D+01
      3  -0.226188D+01 -0.290255D+01  0.319385D+01 -0.178754D+01 -0.674284D+01
               226           227           228           229           230 
      1   0.971109D+01  0.244373D+00  0.236845D+01 -0.619953D+00  0.124352D+01
      2   0.244373D+00  0.103016D+01  0.189284D+00  0.124352D+01  0.388268D+00
      3   0.236845D+01  0.189284D+00  0.162882D+01  0.133825D+00  0.130526D+00
               231           232           233           234           235 
      1   0.133825D+00  0.520366D+01  0.440613D+00  0.218538D+01  0.861310D+00
      2   0.130526D+00  0.440613D+00  0.629450D+00 -0.815339D-01  0.707191D+00
      3  -0.295440D+00  0.218538D+01 -0.815339D-01  0.162389D+01  0.372347D+00
               236           237           238           239           240 
      1   0.707191D+00  0.372347D+00  0.310579D+01  0.182129D+01 -0.733356D+00
      2  -0.658634D+00  0.403555D+00  0.182129D+01  0.789157D+01 -0.266336D+01
      3   0.403555D+00 -0.253011D+00 -0.733356D+00 -0.266336D+01  0.186831D+01
               241           242           243 
      1  -0.838066D+00 -0.377214D+00  0.124715D+01
      2  -0.377214D+00 -0.206384D+01  0.154858D+01
      3   0.124715D+01  0.154858D+01 -0.223814D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.609021D+01 -0.469139D+01  0.132411D+01 -0.403380D+01  0.706424D+01
      2   0.651152D+01  0.822223D+01  0.950417D+01  0.678993D+01  0.126243D+02
      3  -0.832602D+01 -0.948852D+01 -0.167541D+01 -0.443868D+01  0.113539D+01
                 6             7             8             9            10 
      1  -0.137039D+02  0.105949D+00 -0.637585D+01  0.712267D+00 -0.221829D+01
      2  -0.428549D+01  0.217220D+01 -0.253651D+01 -0.860369D+01 -0.198734D+02
      3  -0.664878D+01 -0.388109D+00 -0.601544D+01  0.193064D+01  0.161501D+02
                11            12            13            14            15 
      1   0.270385D+01  0.104930D+01  0.448813D+01 -0.517814D+01 -0.388834D+01
      2   0.138203D+01  0.796022D+01  0.304815D+01 -0.100261D+02 -0.591955D+00
      3   0.512674D+01  0.264811D+01  0.164667D+02  0.703152D+01  0.696017D+01
                16            17            18            19            20 
      1   0.221652D+01  0.701558D+01  0.371551D+01 -0.573164D-01 -0.188068D+01
      2   0.765865D+01 -0.115533D+01  0.107169D+02  0.264315D+02  0.104898D+01
      3  -0.379789D+01  0.770666D+01 -0.112868D+00 -0.218747D+02 -0.710065D+01
                21            22            23            24            25 
      1  -0.120613D+01 -0.793272D+01 -0.276350D+01 -0.294194D+01 -0.293868D+01
      2   0.229440D+01 -0.184968D+01  0.661544D+01  0.515993D+01 -0.150705D+02
      3  -0.458549D+00  0.972696D+00 -0.739914D+01 -0.202092D+01 -0.372324D+00
                26            27            28            29            30 
      1   0.200413D+01  0.523217D+01  0.407913D+01  0.131118D+00  0.276214D+00
      2   0.342434D+01 -0.318690D+01 -0.361480D+02 -0.437482D+01 -0.350027D+01
      3  -0.328035D+01 -0.208770D+01  0.189269D+02  0.834500D+01  0.135160D+01
                31            32            33            34            35 
      1   0.333258D+01  0.247802D+01 -0.262010D+01  0.216789D+01  0.660585D-01
      2  -0.123141D+02 -0.371198D+01 -0.132053D+01 -0.137454D+02 -0.147645D+01
      3   0.342195D+02  0.693735D+01  0.190968D+00  0.251349D+01  0.737816D+00
                36            37            38            39            40 
      1  -0.437885D+01 -0.274367D+01 -0.134020D+01 -0.790777D+00 -0.830044D+01
      2  -0.143188D+01  0.436168D+02  0.372403D+01  0.128042D+02  0.142634D+02
      3   0.275393D-01 -0.153257D+02 -0.125511D+02 -0.185210D+01 -0.103036D+02
                41            42            43            44            45 
      1  -0.351176D+00 -0.499048D+01  0.135691D+01  0.254325D+00 -0.833333D+00
      2   0.324984D+01 -0.167112D+01 -0.129611D+02 -0.383634D+01  0.602400D+01
      3  -0.666872D+01  0.806233D+00 -0.114857D+01 -0.715263D+00  0.153786D+01
                46            47            48            49            50 
      1  -0.796332D-01  0.262541D+01  0.265826D+01 -0.449554D+01  0.398209D+01
      2  -0.120108D+02 -0.327703D+01 -0.476127D+01  0.527300D+01 -0.268955D+01
      3   0.739947D+00  0.132213D+02  0.518603D+01  0.263648D+02  0.170912D+01
                51            52            53            54            55 
      1  -0.670730D+01  0.270483D+01 -0.333946D+01 -0.242410D+01  0.128770D+01
      2   0.655315D+01 -0.487076D+02  0.328037D+00 -0.263628D+02  0.319160D+01
      3   0.187415D+01  0.474651D+01  0.886110D+01 -0.156161D+01  0.673513D+00
                56            57            58            59            60 
      1  -0.891017D+00 -0.676487D+00 -0.465063D+00 -0.286045D+01 -0.170329D+01
      2  -0.105692D+01  0.766324D+01 -0.850655D+01  0.863469D+01 -0.873302D+01
      3  -0.789281D+01 -0.385256D-01 -0.736523D+01  0.651715D+01 -0.781744D+01
                61            62            63            64            65 
      1  -0.169821D+01  0.844739D+01  0.518924D+00  0.890923D+01 -0.195168D+01
      2   0.287867D+02 -0.437815D+01  0.428457D+02  0.907149D+01 -0.720612D+01
      3  -0.361889D+01 -0.126095D+02  0.332393D+01 -0.102051D+02 -0.211650D+02
                66            67            68            69            70 
      1  -0.412663D+01 -0.205110D+01  0.795741D+01 -0.174570D+01 -0.713056D+01
      2  -0.235440D+01 -0.652824D+01  0.553167D+01 -0.196287D+01 -0.980614D+01
      3  -0.166449D+01 -0.110538D+02 -0.660465D+01 -0.445716D+01 -0.877237D-02
                71            72            73            74            75 
      1   0.510746D+01 -0.164345D+02 -0.548457D+00 -0.185231D+01  0.386969D+01
      2   0.105045D+01 -0.157267D+02  0.506565D+01  0.861118D+01 -0.107622D+02
      3  -0.499847D+01  0.370347D+01  0.578824D+01 -0.223551D+02 -0.806014D+01
                76            77            78            79            80 
      1  -0.192127D+01 -0.584377D+00 -0.251255D+01  0.573167D+01  0.198270D+01
      2   0.114820D+02  0.281937D+01  0.922227D+00 -0.241251D+02 -0.183089D+01
      3  -0.153959D+02 -0.517287D+01 -0.250649D+01 -0.936075D+01 -0.178223D+01
                81            82            83            84            85 
      1   0.225521D+01  0.210649D+01  0.477707D+01 -0.219407D+01  0.610312D+01
      2  -0.569755D+01 -0.511816D+01 -0.695900D+01  0.250574D+01 -0.899549D+01
      3  -0.520334D+01 -0.678614D+01  0.856431D+01  0.283290D+01  0.203107D+02
                86            87            88            89            90 
      1   0.472264D+01  0.725743D+01 -0.264285D+01  0.163370D+02 -0.340961D+01
      2  -0.507248D+01 -0.570572D+01  0.419396D+00 -0.682627D+01  0.134762D+01
      3   0.892711D+01  0.183970D+00  0.340616D+01 -0.104898D+00  0.104894D+02
                91            92            93            94            95 
      1   0.713471D+00 -0.237793D+01  0.107204D+01  0.574448D+01  0.299750D+01
      2  -0.204397D+02 -0.289872D+01 -0.471176D+01 -0.363106D+01  0.153163D+02
      3  -0.789353D+01 -0.115165D+02  0.250879D+01  0.121806D+02  0.213816D+02
                96            97            98            99           100 
      1  -0.863458D+01  0.469766D+01 -0.829417D+00 -0.422198D+01 -0.214763D+01
      2   0.876287D+01 -0.232008D+02  0.423998D+01  0.153222D+02  0.597290D+01
      3  -0.207002D+02  0.474186D+01 -0.113718D+02 -0.824232D+01  0.357271D+01
               101           102           103           104           105 
      1   0.116685D+01 -0.222265D+01  0.658569D+00 -0.118305D+01 -0.186322D-01
      2  -0.847303D+00  0.933208D+01 -0.228537D+01  0.206959D+01 -0.229257D+01
      3  -0.256383D+01  0.295676D+01 -0.332118D+00  0.281036D+01 -0.281774D+01
               106           107           108           109           110 
      1  -0.367586D+01  0.303281D+01 -0.460753D+01  0.295666D+01 -0.166542D+00
      2   0.996015D+01  0.114736D+00  0.171413D+02 -0.103847D+02 -0.319841D+01
      3   0.493573D+01 -0.620851D+01  0.351678D+01  0.112176D+01 -0.460779D+01
               111           112           113           114           115 
      1  -0.282050D+01  0.161534D+01  0.614024D+00 -0.171284D+01 -0.340068D+01
      2   0.109181D+02 -0.377628D+01 -0.337374D+01  0.283310D+01  0.119952D+02
      3   0.149073D+00 -0.511340D+00 -0.280360D+01  0.205950D+01  0.488766D+00
               116           117           118           119           120 
      1   0.773849D+00  0.326937D+01 -0.115518D+01  0.112898D+00  0.178305D+00
      2   0.314294D+01 -0.119045D+02  0.302444D+01  0.654514D+00  0.335662D+00
      3   0.587051D+01  0.508806D+00  0.244290D+00 -0.105792D+01  0.462057D+00
               121           122           123           124           125 
      1  -0.119028D+01 -0.191328D+01  0.399556D+00 -0.539296D+00  0.436289D+01
      2   0.122464D+01  0.124459D+00 -0.172411D+01 -0.393538D+01 -0.918166D+00
      3   0.240677D+01  0.456620D+00 -0.488921D+00  0.581121D+00 -0.100538D+01
               126           127           128           129           130 
      1  -0.387658D+01  0.218044D+01 -0.151558D+01  0.240592D+01 -0.116438D+01
      2   0.672762D+01 -0.115459D+01  0.120408D+01 -0.549148D-01  0.161956D+01
      3   0.112031D+01 -0.250415D+01  0.109892D+01 -0.281290D+01  0.237619D+01
               131           132           133           134           135 
      1   0.501239D+01 -0.702395D+01  0.971427D+00 -0.590386D+01  0.115616D+02
      2  -0.297776D+01  0.304512D+01 -0.191026D+01  0.480242D+01 -0.588134D+01
      3  -0.875376D+01  0.412721D+01 -0.493032D+01  0.677438D+01 -0.645567D+01
               136           137           138           139           140 
      1  -0.154443D+01 -0.586028D+00  0.323137D+00 -0.582203D+00 -0.253458D+01
      2   0.185422D+01 -0.752375D-01  0.375430D+00  0.202207D-01  0.549724D+01
      3  -0.152942D+01  0.395991D+00  0.129900D+01  0.193012D+01 -0.116968D+02
               141           142           143           144           145 
      1  -0.663074D+01  0.330997D-01 -0.461071D+01 -0.794873D+01 -0.149730D+01
      2   0.464614D+01 -0.246237D+01  0.683534D+01  0.672802D+01 -0.414591D+01
      3  -0.552528D+01  0.288056D+01 -0.819281D+01 -0.749625D+01 -0.710426D+00
               146           147           148           149           150 
      1   0.248157D+01 -0.786288D+00  0.214890D+01 -0.133648D+02  0.436277D+01
      2   0.180156D+01 -0.194637D+01  0.364585D+01 -0.686189D+01  0.704593D+01
      3   0.456892D+00 -0.417534D-01  0.290663D+01 -0.706034D+01  0.393509D+01
               151           152           153           154           155 
      1  -0.731270D+00  0.701204D+01 -0.500400D+01  0.219216D+01 -0.329986D+01
      2  -0.361523D+01  0.479481D+01 -0.580316D+01  0.509274D+01 -0.156647D+01
      3  -0.749045D+00  0.314154D+01 -0.336150D+01  0.484604D+00 -0.392779D+01
               156           157           158           159           160 
      1   0.746450D+00 -0.189792D+01  0.203497D+01  0.790894D+00 -0.641139D+00
      2   0.352646D+01 -0.274778D+01 -0.117909D+01 -0.138676D+01 -0.227585D+01
      3  -0.702344D+00 -0.511772D+00  0.301085D+01  0.257611D+01  0.319372D+00
               161           162           163           164           165 
      1   0.298375D+01 -0.407574D+00  0.294700D+01  0.469892D+01 -0.732479D+00
      2  -0.310167D-01 -0.158774D+01 -0.129458D+02 -0.723544D+01 -0.533726D+01
      3   0.221005D+01  0.477581D+00  0.893624D+01  0.484533D+01  0.334667D+01
               166           167           168           169           170 
      1   0.290049D+01  0.456209D+01  0.369324D+00  0.147478D+00  0.284441D+01
      2  -0.692772D+01 -0.795387D+01 -0.382508D+01 -0.496110D+01 -0.314650D+01
      3   0.692727D+01  0.629744D+01  0.419699D+01  0.157002D+01  0.186217D+01
               171           172           173           174           175 
      1   0.637198D+00 -0.260183D+01 -0.189972D+01 -0.328743D+01 -0.144067D+01
      2  -0.409793D+01  0.129839D+01  0.203520D+01  0.201400D-01  0.150480D+01
      3   0.286171D+01  0.159477D+02  0.148378D+02  0.818136D+00  0.116822D+02
               176           177           178           179           180 
      1  -0.386118D+01 -0.368543D+01 -0.897058D+00 -0.104709D+01  0.759621D-01
      2   0.116923D+01 -0.470795D+00 -0.123406D+01 -0.183194D+01  0.833235D+00
      3   0.184226D+02  0.730030D+00  0.180738D+01  0.257561D+01  0.305526D+01
               181           182           183           184           185 
      1  -0.542499D+01  0.292221D+01  0.491586D+01  0.328749D+01 -0.352748D+01
      2  -0.705961D+01  0.393916D+01  0.703553D+01  0.313111D+01 -0.363532D+01
      3  -0.351422D+01 -0.266215D+01  0.139835D+01  0.213416D+01  0.410736D+01
               186           187           188           189           190 
      1  -0.304399D+01  0.376964D+01 -0.144084D+01 -0.203944D+01  0.140782D+01
      2  -0.268540D+01  0.452898D+01 -0.275853D+01 -0.288974D+01  0.154395D+01
      3   0.677461D+00  0.761428D+00  0.334939D+01 -0.582715D+00  0.492219D+00
               191           192           193           194           195 
      1   0.200692D+00  0.233503D+01 -0.154435D+00  0.214651D+01  0.374824D+00
      2   0.296865D+00  0.262017D+01  0.170603D+00  0.181504D+01  0.102143D+01
      3   0.445529D+00 -0.164145D+01  0.115559D+01 -0.353658D+00 -0.176112D+01
               196           197           198           199           200 
      1   0.368732D+01  0.264083D+01  0.180471D+02  0.100334D-01  0.535048D+00
      2   0.651421D+00 -0.240358D+01  0.196687D+02 -0.513103D+00 -0.468653D+00
      3  -0.198141D+01 -0.398700D+01  0.382333D+00  0.112396D+01 -0.902802D-01
               201           202           203           204           205 
      1  -0.253830D+00  0.540839D+01  0.535471D-02 -0.158984D+01  0.109480D+01
      2  -0.576746D+00  0.164407D+01  0.167799D+01  0.518051D-01 -0.417528D+01
      3  -0.591139D+00  0.137121D+01  0.497689D+00 -0.860420D+00 -0.223487D+01
               206           207           208           209           210 
      1   0.262076D+01  0.400724D+01 -0.169615D+01  0.118223D-01  0.375407D-01
      2   0.666581D+00  0.333156D+01 -0.149655D+01  0.501338D+00 -0.969482D+00
      3  -0.141508D+01  0.315071D+00 -0.314887D+01 -0.785998D+00 -0.156630D-01
               211           212           213           214           215 
      1   0.658841D+01 -0.628134D+00 -0.161193D+00  0.241670D+01  0.445336D+01
      2  -0.167067D+01 -0.211364D+01  0.310017D+01 -0.338619D+01  0.283262D+01
      3   0.103697D+02 -0.184115D+00  0.196206D+01  0.351437D+01  0.329140D+01
               216           217           218           219           220 
      1  -0.305511D+00  0.365046D+00 -0.580754D+00 -0.753354D+00 -0.234215D+01
      2  -0.106347D+02 -0.435440D+00  0.146340D+01  0.404361D+01  0.415585D+01
      3  -0.359758D+01  0.189129D+01 -0.270426D+01 -0.199422D+01 -0.741950D+01
               221           222           223           224           225 
      1   0.299230D+01  0.272413D+01 -0.263748D+01  0.450233D+01  0.512674D+01
      2  -0.901359D+01 -0.122626D+02  0.907866D+01 -0.767451D+01 -0.268168D+02
      3   0.685986D+01  0.117569D+02 -0.461030D+01  0.967194D+01  0.110022D+02
               226           227           228           229           230 
      1  -0.157337D+01 -0.797045D-01 -0.108215D+01 -0.854305D+00 -0.379838D+00
      2   0.168832D+02  0.889069D+00  0.113372D+02  0.287705D+00  0.103759D+01
      3   0.320958D+01 -0.638088D+01  0.515566D+00 -0.349862D+01 -0.925343D+00
               231           232           233           234           235 
      1  -0.517551D+00 -0.127364D+01  0.857989D+00 -0.757085D+00  0.223246D+00
      2  -0.120785D+01  0.105768D+02 -0.357461D+00  0.941570D+01  0.669565D+00
      3  -0.753432D+00  0.350941D+00 -0.337433D+01  0.125524D+01 -0.310511D+00
               236           237           238           239           240 
      1   0.745929D+00 -0.259078D+00 -0.195174D+01 -0.601481D+01 -0.319831D+00
      2   0.196573D+01  0.571602D+00  0.972099D+00 -0.957372D+01  0.698399D+01
      3   0.378807D+01 -0.250734D+01 -0.634502D+01 -0.356642D+02  0.128157D+02
               241           242           243 
      1  -0.693661D-01  0.197221D+01  0.724826D-01
      2   0.314476D+01  0.611454D+01 -0.797205D+01
      3   0.583550D+00  0.900857D+01 -0.680657D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.749114D+00  0.188445D+02  0.182928D+02  0.173179D+02  0.131281D+02
      2   0.284951D+01 -0.157347D+02 -0.133811D+02 -0.145090D+02  0.454895D+01
      3  -0.359862D+01 -0.310986D+01 -0.491170D+01 -0.280891D+01 -0.176771D+02
      4   0.206919D+02 -0.305268D+01 -0.126417D+02 -0.138804D+01 -0.100166D+02
      5   0.267808D+02 -0.186459D+02 -0.207528D+02 -0.197370D+02  0.108041D+02
      6  -0.188906D+02 -0.503775D+01  0.559747D+01 -0.323469D+01  0.153104D+01
                 6             7             8             9            10 
      1  -0.507785D+01  0.130507D+02 -0.566597D+01 -0.141984D+02 -0.179265D+02
      2  -0.321213D+01 -0.863050D+01 -0.386693D+01 -0.150043D+01  0.210631D+02
      3   0.828998D+01 -0.442024D+01  0.953290D+01  0.156988D+02 -0.313664D+01
      4   0.157034D+02 -0.122838D+02  0.134382D+02  0.854087D+00 -0.374852D+02
      5  -0.736943D+00 -0.187823D+02  0.963866D+00 -0.739796D+01 -0.137752D+02
      6  -0.129294D+02  0.502584D+01 -0.119122D+02  0.797260D+01  0.605024D+01
                11            12            13            14            15 
      1  -0.233925D+02 -0.891067D+01 -0.284686D+02 -0.250157D+02 -0.492955D+01
      2   0.153228D+02  0.420976D+01  0.178215D+02  0.811954D+01  0.689702D+01
      3   0.806977D+01  0.470091D+01  0.106471D+02  0.168962D+02 -0.196747D+01
      4   0.284458D+00  0.511236D+01 -0.250007D+01 -0.484371D+01 -0.162022D+02
      5   0.332857D+01  0.107823D+02  0.551174D+01 -0.137176D+02  0.141447D+01
      6  -0.393042D+01 -0.113045D+01 -0.243023D+01  0.123146D+02  0.475086D+00
                16            17            18            19            20 
      1  -0.981988D+00 -0.337376D+01  0.129960D+02  0.614255D+02  0.101830D+02
      2  -0.841117D+01  0.978159D+01 -0.548236D+01 -0.617962D+02 -0.123002D+02
      3   0.939316D+01 -0.640783D+01 -0.751365D+01  0.370707D+00  0.211717D+01
      4   0.878356D+01 -0.207243D+02 -0.233103D+01  0.615030D+01 -0.168147D+02
      5   0.120160D+02 -0.779215D+00  0.205157D+02 -0.767352D+01 -0.435177D+01
      6  -0.272486D+01 -0.162503D+01 -0.100225D+02 -0.131248D+02 -0.431974D+01
                21            22            23            24            25 
      1   0.295842D+01  0.123698D+02  0.980032D+01 -0.197180D+01  0.391006D+01
      2  -0.433148D+01 -0.160140D+02 -0.117237D+02 -0.333270D+01  0.516234D+00
      3   0.137305D+01  0.364424D+01  0.192335D+01  0.530450D+01 -0.442629D+01
      4  -0.436655D+01 -0.320058D+02 -0.447475D+01  0.454270D+01 -0.864624D+01
      5   0.287657D+00 -0.869269D+01  0.479302D+00  0.689284D+01 -0.350757D+01
      6  -0.699048D+00 -0.761641D+01 -0.383738D+01  0.147768D+01 -0.135390D+01
                26            27            28            29            30 
      1  -0.229999D+01  0.744729D+01 -0.129424D+03 -0.660487D+01 -0.446091D+01
      2  -0.396943D+01  0.119955D+02  0.959398D+02  0.509373D+01  0.247529D+01
      3   0.626942D+01 -0.194428D+02  0.334840D+02  0.151113D+01  0.198562D+01
      4   0.792113D+01  0.562974D+01  0.333430D+01 -0.111492D+02 -0.211410D+01
      5   0.390087D+01 -0.737791D+01  0.744443D+01 -0.186920D+01 -0.112949D+02
      6   0.479462D+01  0.234437D+01  0.164997D+02  0.620882D+01  0.175646D+01
                31            32            33            34            35 
      1  -0.318089D+02 -0.255222D+02 -0.777030D+01  0.284485D+02 -0.362753D+01
      2   0.269811D+02  0.241884D+02  0.462851D+01 -0.163485D+02  0.419006D+01
      3   0.482771D+01  0.133379D+01  0.314179D+01 -0.121000D+02 -0.562533D+00
      4  -0.794923D+01 -0.900993D+01 -0.252068D+01 -0.113076D+01  0.122127D+00
      5  -0.306497D+00 -0.887344D+00 -0.265945D+01  0.101503D+01  0.207126D+01
      6   0.252330D+01  0.742306D+01  0.464769D+01 -0.411147D+00 -0.102569D+01
                36            37            38            39            40 
      1  -0.369171D+01  0.157065D+03  0.106936D+02  0.891142D+01  0.340827D+02
      2  -0.190414D+01 -0.111170D+03 -0.675219D+01 -0.607477D+01 -0.179929D+02
      3   0.559586D+01 -0.458950D+02 -0.394142D+01 -0.283665D+01 -0.160898D+02
      4   0.264421D+01 -0.592209D+01  0.185523D+02  0.183828D+01  0.296681D+02
      5  -0.205879D+01  0.111662D+02  0.331998D+01  0.198344D+02  0.587867D+01
      6   0.515958D+01 -0.179181D+02 -0.565178D+01 -0.332012D+01 -0.114702D+02
                41            42            43            44            45 
      1   0.273533D+01 -0.317254D+01 -0.333293D+02 -0.934900D+01  0.129112D+02
      2   0.445484D+01 -0.283512D+01  0.211263D+02  0.376781D+01 -0.141884D+01
      3  -0.719017D+01  0.600766D+01  0.122030D+02  0.558118D+01 -0.114923D+02
      4   0.673317D+01 -0.260958D+01  0.229982D+01 -0.449811D+01 -0.741925D+01
      5  -0.200294D+01 -0.477199D+01  0.263675D+02 -0.537553D+01  0.760043D+01
      6  -0.722816D+00  0.434337D+01 -0.244527D+01  0.405805D+01  0.667253D+01
                46            47            48            49            50 
      1  -0.703286D+02 -0.513416D+01  0.746385D+01 -0.461172D+00 -0.401589D+01
      2   0.508944D+02 -0.212946D+01 -0.101368D+01 -0.541451D+01  0.656750D+01
      3   0.194342D+02  0.726362D+01 -0.645017D+01  0.587568D+01 -0.255162D+01
      4  -0.529931D+01 -0.168625D+02  0.469357D+01 -0.113547D+01  0.211167D+01
      5  -0.442443D+01  0.169974D+01 -0.169870D+02  0.236621D+02 -0.590355D+01
      6   0.131708D+02  0.175046D+01 -0.497862D+00 -0.208600D+01  0.460971D+01
                51            52            53            54            55 
      1   0.839934D+01 -0.364960D+02  0.546872D+01 -0.158518D+02  0.296804D+02
      2  -0.100592D+02  0.386689D+02  0.252105D+00  0.196849D+02 -0.179239D+02
      3   0.165984D+01 -0.217285D+01 -0.572083D+01 -0.383307D+01 -0.117566D+02
      4  -0.753736D+01  0.263920D+02 -0.523023D+01  0.980673D+01 -0.834783D+01
      5   0.699904D+01 -0.582078D+02  0.523042D+01 -0.413572D+02  0.215640D+02
      6   0.339443D+01  0.130226D+02 -0.601154D+01  0.736874D+01 -0.244735D+01
                56            57            58            59            60 
      1  -0.404950D+01  0.120239D+02 -0.221266D+02 -0.673341D+00 -0.259104D+01
      2   0.336175D+01 -0.808767D+01  0.141843D+02  0.147155D+01  0.294081D+01
      3   0.687750D+00 -0.393618D+01  0.794231D+01 -0.798206D+00 -0.349765D+00
      4   0.131142D+02 -0.512759D+01  0.225996D+02 -0.156571D+02  0.212248D+02
      5  -0.417530D+01  0.214705D+02 -0.180432D+02  0.206368D+02 -0.118346D+02
      6   0.176201D+01 -0.146985D+01  0.105772D+02 -0.873661D+01  0.133678D+02
                61            62            63            64            65 
      1   0.629100D+02  0.279539D+01  0.101486D+01 -0.355221D+01  0.379878D+02
      2  -0.507615D+02 -0.203644D+01 -0.303892D+02 -0.200522D+02 -0.261155D+02
      3  -0.121485D+02 -0.758954D+00  0.293744D+02  0.236044D+02 -0.118722D+02
      4  -0.150032D+02  0.155880D+02 -0.154431D+02  0.374019D+02 -0.203159D+02
      5   0.648985D+02 -0.100477D+02  0.746180D+02  0.906021D+01 -0.281770D+01
      6  -0.115076D+02  0.144758D+02 -0.954147D+01 -0.790723D+01  0.685315D+01
                66            67            68            69            70 
      1   0.109806D+02  0.334656D+02  0.516153D+01 -0.216060D+00  0.119197D+02
      2  -0.293378D+00 -0.211866D+02 -0.576914D+01 -0.710135D+01  0.479659D+01
      3  -0.106872D+02 -0.122790D+02  0.607612D+00  0.731741D+01 -0.167163D+02
      4  -0.132868D+02 -0.152919D+02 -0.641746D+01  0.153326D+02 -0.193173D+02
      5  -0.475896D+01 -0.405473D+01  0.149885D+02 -0.635712D+01 -0.678925D+01
      6   0.427837D+01  0.815852D+01 -0.131251D+02  0.501481D+01  0.579496D+01
                71            72            73            74            75 
      1  -0.279203D+01 -0.335569D+01 -0.107319D+02 -0.113198D+02  0.393828D+01
      2  -0.957078D+01  0.177101D+02  0.677536D+01  0.894789D+01  0.483646D+01
      3   0.123628D+02 -0.143544D+02  0.395651D+01  0.237195D+01 -0.877474D+01
      4   0.188684D+02  0.392039D+01 -0.935802D+01  0.112989D+02  0.119946D+02
      5  -0.825126D+00 -0.343720D+02  0.112046D+02  0.114415D+02 -0.278258D+02
      6   0.547535D+01  0.198056D+02  0.310973D+01  0.821512D+01 -0.342565D+01
                76            77            78            79            80 
      1  -0.135760D+02  0.325265D+02  0.190974D+02  0.113141D+02  0.196108D+02
      2   0.107913D+02 -0.155836D+02 -0.103834D+02  0.321608D+01 -0.116422D+02
      3   0.278464D+01 -0.169429D+02 -0.871392D+01 -0.145302D+02 -0.796864D+01
      4   0.234984D+02  0.205620D+02  0.940745D+01  0.215685D+02  0.134302D+02
      5   0.190349D+02  0.705344D+01  0.331792D+01 -0.408498D+02 -0.304995D+00
      6   0.697316D+01  0.150487D+01  0.383023D+00 -0.601203D+01  0.212657D+01
                81            82            83            84            85 
      1  -0.337638D+02 -0.394442D+02  0.671350D+01  0.577520D+01  0.111500D+02
      2   0.254093D+02  0.429984D+02  0.516401D+01 -0.659060D+01  0.330751D+01
      3   0.835441D+01 -0.355416D+01 -0.118775D+02  0.815399D+00 -0.144575D+02
      4  -0.536875D+01  0.231704D+02  0.183114D+02 -0.130631D+01  0.234907D+02
      5  -0.161078D+02  0.520118D+01  0.357544D+00  0.226971D+01 -0.103100D+01
      6   0.223277D+01  0.108557D+02 -0.241104D+01  0.279713D+01 -0.135017D+01
                86            87            88            89            90 
      1   0.879202D+01 -0.487284D+00  0.192877D+02  0.381054D+01  0.250973D+02
      2  -0.275647D+01  0.133502D+01 -0.198293D+02 -0.345582D+01 -0.271302D+02
      3  -0.603555D+01 -0.847736D+00  0.541603D+00 -0.354718D+00  0.203294D+01
      4  -0.110492D+01 -0.832265D+01 -0.676167D+01 -0.134961D+02 -0.128032D+02
      5  -0.359445D+01 -0.117970D+02  0.283197D+01 -0.163873D+02  0.217643D+01
      6  -0.107831D+02 -0.212599D+02 -0.174418D+01 -0.319145D+02 -0.517992D+01
                91            92            93            94            95 
      1  -0.196493D+02  0.818505D+01 -0.404132D+02  0.211429D+02  0.139134D+02
      2   0.808287D+01 -0.181622D+01  0.189270D+02 -0.162238D+02 -0.126333D+02
      3   0.115665D+02 -0.636883D+01  0.214862D+02 -0.491909D+01 -0.128008D+01
      4   0.142882D+02  0.138377D+02 -0.116567D+02 -0.293361D+01 -0.328730D+02
      5  -0.463544D+02 -0.108236D+02 -0.266527D+01 -0.129893D+02  0.262582D+02
      6  -0.668900D+01 -0.455615D+01  0.239434D+01  0.250203D+01  0.103459D+02
                96            97            98            99           100 
      1  -0.100650D+02 -0.609672D+02 -0.103342D+02 -0.178215D+02  0.367849D+02
      2   0.165747D+02  0.283132D+02  0.129028D+02  0.151542D+02 -0.243558D+02
      3  -0.650968D+01  0.326540D+02 -0.256865D+01  0.266728D+01 -0.124291D+02
      4   0.285698D+02 -0.135851D+02  0.218217D+02  0.132005D+02  0.615010D+01
      5   0.197352D+02 -0.218270D+02  0.135022D+02  0.311226D+02  0.257619D+02
      6  -0.831898D+01  0.355941D+01 -0.471706D+01 -0.606838D+01  0.191653D+01
               101           102           103           104           105 
      1   0.159559D+01  0.171800D+02 -0.504760D+01  0.118906D+01 -0.504427D+01
      2  -0.378494D+00 -0.132795D+02  0.394934D+01 -0.167049D+01  0.418848D+01
      3  -0.121709D+01 -0.390050D+01  0.109826D+01  0.481431D+00  0.855791D+00
      4   0.527822D+01  0.108822D+01  0.645307D+01 -0.311838D+01  0.550931D+01
      5  -0.998489D+00  0.240678D+02 -0.621547D+01  0.656577D+01 -0.512619D+01
      6   0.121271D+01  0.268530D+01  0.222833D+01 -0.240362D+00  0.407987D+01
               106           107           108           109           110 
      1   0.274309D+02 -0.236256D+01  0.197264D+02  0.609479D+02  0.139889D+02
      2  -0.230287D+02  0.288746D+01 -0.238382D+02 -0.306144D+02 -0.506314D+01
      3  -0.440220D+01 -0.524907D+00  0.411177D+01 -0.303335D+02 -0.892573D+01
      4   0.245023D+01  0.894573D+01  0.405385D+01  0.263631D+02  0.137246D+02
      5   0.378329D+02  0.773849D+00  0.417379D+02 -0.233393D+02 -0.671754D+01
      6   0.416801D+01  0.416552D+01  0.536609D+01 -0.678072D+01 -0.326011D+01
               111           112           113           114           115 
      1  -0.184448D+02  0.123760D+02  0.469967D+01 -0.508680D+01 -0.353160D+02
      2   0.921577D+01 -0.364903D+01  0.187452D+01  0.158602D+01  0.185898D+02
      3   0.922899D+01 -0.872697D+01 -0.657419D+01  0.350078D+01  0.167261D+02
      4  -0.953027D+01  0.162533D+02  0.107987D+02 -0.833201D+01 -0.180499D+02
      5   0.199041D+02 -0.716822D+01 -0.737939D+01  0.452150D+01  0.306678D+02
      6   0.436198D+01 -0.414091D+01 -0.270688D+01  0.390501D+01  0.798062D+01
               116           117           118           119           120 
      1  -0.869403D+01  0.201680D+02  0.106697D+01 -0.406886D+00  0.251660D+01
      2   0.286279D+01 -0.145751D+02 -0.415214D+01  0.263958D+00  0.247045D+00
      3   0.583124D+01 -0.559297D+01  0.308517D+01  0.142928D+00 -0.276365D+01
      4  -0.143718D+02  0.108061D+02 -0.155233D+01  0.287200D+01  0.551884D+00
      5   0.746754D+01 -0.221485D+02  0.105954D+01 -0.279365D+00  0.606659D+01
      6   0.454441D+01 -0.684717D+01 -0.476220D+00 -0.122457D+00 -0.126451D-01
               121           122           123           124           125 
      1   0.731271D+00 -0.556893D+01  0.450947D+01  0.761384D+00  0.227002D+01
      2   0.205460D+00  0.125351D+01  0.538010D+00 -0.529347D+00  0.223168D+01
      3  -0.936731D+00  0.431542D+01 -0.504748D+01 -0.232037D+00 -0.450170D+01
      4   0.270788D+01 -0.136950D+01  0.140010D+01  0.309691D+00  0.382311D+01
      5  -0.551565D+00  0.105977D+01 -0.299937D+01  0.542090D+01 -0.174335D+01
      6  -0.185556D+00 -0.258846D+01  0.620763D+01 -0.740865D-01  0.464617D+01
               126           127           128           129           130 
      1  -0.221099D+02 -0.461132D+00  0.604221D+01 -0.405674D+01  0.365720D+01
      2  -0.122608D+02  0.656436D+00 -0.783143D+01  0.377559D+01 -0.364522D+01
      3   0.343707D+02 -0.195304D+00  0.178922D+01  0.281154D+00 -0.119789D-01
      4  -0.299379D+01 -0.142807D+01  0.130623D+01 -0.229280D+01  0.318288D+01
      5   0.115053D+02 -0.117593D+01  0.920416D-01  0.217694D+00 -0.490037D-01
      6  -0.223656D+00 -0.484889D+01  0.256924D+01 -0.305744D+01  0.912507D+00
               131           132           133           134           135 
      1  -0.197764D+02  0.801753D+01 -0.707446D+01  0.146202D+02 -0.160200D+02
      2   0.275957D+02 -0.109942D+02  0.455622D+01 -0.197988D+02  0.149644D+02
      3  -0.781922D+01  0.297669D+01  0.251824D+01  0.517861D+01  0.105560D+01
      4   0.105773D+02 -0.398621D+01 -0.493950D+01 -0.803856D+01  0.625746D+01
      5  -0.560827D+01  0.621730D+01  0.479622D+00  0.889270D+01 -0.109934D+02
      6  -0.994532D+01  0.124711D+02 -0.669144D+00  0.169019D+02 -0.159940D+02
               136           137           138           139           140 
      1   0.486208D+01  0.571429D+01  0.335528D+01  0.246835D+01 -0.280942D+02
      2  -0.354979D+01 -0.401989D+01 -0.129434D+01 -0.967616D-01  0.351056D+02
      3  -0.131229D+01 -0.169440D+01 -0.206093D+01 -0.237158D+01 -0.701134D+01
      4   0.452929D+01  0.644850D+01  0.468575D+01  0.877052D+01  0.234315D+02
      5   0.261667D+01  0.350076D+01  0.434226D+01  0.396687D+01  0.122034D+02
      6   0.439517D+01 -0.301898D+00 -0.713149D+00  0.391764D+01  0.279604D+02
               141           142           143           144           145 
      1  -0.138266D+02 -0.116254D+01 -0.230208D+02 -0.220972D+02 -0.210901D+01
      2   0.141441D+02  0.342566D+01  0.213154D+02  0.131298D+02 -0.129083D+01
      3  -0.317543D+00 -0.226312D+01  0.170537D+01  0.896738D+01  0.339984D+01
      4   0.120097D+02  0.100977D+02  0.188052D+02  0.142201D+02  0.740915D+00
      5   0.974296D+01  0.716150D+01  0.156011D+02  0.144671D+02 -0.320512D+01
      6   0.215129D+02  0.533502D+01  0.310612D+02  0.272261D+02 -0.858966D+00
               146           147           148           149           150 
      1   0.145273D+01 -0.609830D+01  0.253181D+01 -0.955101D+01  0.995754D+01
      2   0.108064D+01  0.106240D+01 -0.607354D+00 -0.107806D+01  0.706023D+01
      3  -0.253337D+01  0.503590D+01 -0.192446D+01  0.106291D+02 -0.170178D+02
      4   0.311407D+00  0.136510D+01  0.363182D+00  0.159415D+02 -0.919483D+01
      5  -0.207142D+00  0.382943D+01 -0.266427D+01 -0.722580D+01  0.110183D+02
      6   0.286247D+01 -0.170009D+01  0.173685D+01 -0.164993D+02  0.112001D+02
               151           152           153           154           155 
      1  -0.358519D+01  0.713225D+01 -0.105431D+02  0.285326D+02 -0.741450D+01
      2   0.116895D+01  0.466121D+01 -0.778408D+01 -0.205125D+02  0.413130D+01
      3   0.241624D+01 -0.117935D+02  0.183271D+02 -0.802015D+01  0.328320D+01
      4   0.895426D+00 -0.712169D+01  0.702368D+01 -0.217612D+02  0.146517D+02
      5   0.482961D+01  0.555245D+01 -0.856790D+01 -0.384995D+02  0.144024D+02
      6  -0.148694D+01  0.110185D+02 -0.920200D+01  0.124694D+02 -0.875501D+01
               156           157           158           159           160 
      1  -0.921121D+01 -0.713932D+01  0.860158D+00  0.114653D+00 -0.626054D+01
      2   0.147316D+02  0.405089D+01 -0.323027D+00 -0.223193D+01  0.112465D+02
      3  -0.552040D+01  0.308843D+01 -0.537131D+00  0.211727D+01 -0.498592D+01
      4   0.121735D+02  0.138482D+02 -0.113055D+02 -0.103536D+02  0.839579D+01
      5   0.305714D+02  0.138212D+02 -0.115918D+02 -0.112081D+02  0.223971D+02
      6  -0.993491D+01 -0.797629D+01  0.845710D+01  0.100083D+02 -0.749166D+01
               161           162           163           164           165 
      1   0.113236D+00  0.258787D+01 -0.120608D+02 -0.133937D+02 -0.131157D+02
      2  -0.188000D+01 -0.112024D+02  0.595213D+01  0.930417D+01  0.191190D+01
      3   0.176677D+01  0.861450D+01  0.610866D+01  0.408950D+01  0.112038D+02
      4  -0.636747D+01 -0.865341D+01  0.143420D+01 -0.465285D+00  0.830667D+00
      5  -0.856331D+01 -0.219685D+02  0.644822D+01  0.499700D+01  0.192981D+01
      6   0.746231D+01  0.858309D+01  0.939401D+01  0.105399D+02  0.748545D+01
               166           167           168           169           170 
      1  -0.107348D+02 -0.171574D+02 -0.921512D+01 -0.660262D+01 -0.531564D+01
      2   0.788203D+01  0.127228D+02  0.279011D+01  0.866936D+00  0.104776D+01
      3   0.285272D+01  0.443467D+01  0.642501D+01  0.573569D+01  0.426788D+01
      4   0.163523D+01 -0.276362D+01 -0.373571D+01  0.148156D+01 -0.190860D+01
      5   0.688713D+01  0.473129D+00 -0.154663D+01  0.457650D+01  0.353414D+00
      6   0.676182D+01  0.132306D+02  0.112988D+02  0.403893D+01  0.789805D+01
               171           172           173           174           175 
      1  -0.807770D+01 -0.148975D+02 -0.254324D+02 -0.127381D+01 -0.164287D+02
      2   0.142317D+00  0.168915D+02  0.291517D+02  0.110141D+01  0.164729D+02
      3   0.793538D+01 -0.199400D+01 -0.371923D+01  0.172401D+00 -0.442120D-01
      4  -0.351313D+00  0.462021D+01  0.375208D+00  0.252114D+01  0.612632D+01
      5   0.744349D+00 -0.480071D+01 -0.171515D+01 -0.175259D+01 -0.240077D+01
      6   0.595620D+01  0.188632D+00 -0.355870D+01  0.539198D+01 -0.149851D+01
               176           177           178           179           180 
      1  -0.283977D+02 -0.783395D+00 -0.349997D+01 -0.255631D+01 -0.527634D+01
      2   0.390396D+02  0.213301D+01  0.157292D+01  0.569611D+01  0.344843D+01
      3  -0.106419D+02 -0.134961D+01  0.192705D+01 -0.313981D+01  0.182792D+01
      4  -0.782756D+01 -0.820612D+00  0.313220D+01 -0.372285D+01 -0.540943D+00
      5  -0.350841D+01 -0.184705D+01  0.217692D+00 -0.204841D+01  0.183879D+01
      6  -0.278398D+01  0.525061D+01  0.246243D+01  0.551013D+01 -0.699733D+00
               181           182           183           184           185 
      1   0.447565D+02 -0.185207D+02 -0.792772D+01 -0.147891D+02  0.539898D+01
      2  -0.801730D+01 -0.321715D+01  0.135913D+01 -0.269442D+01  0.119745D+02
      3  -0.367392D+02  0.217378D+02  0.656859D+01  0.174835D+02 -0.173734D+02
      4  -0.511745D+02  0.360027D+02  0.788301D+01  0.293533D+02 -0.269794D+02
      5  -0.372188D+01  0.114015D+01  0.992114D+01  0.153169D+01 -0.319782D+01
      6   0.382772D+01 -0.174985D+01 -0.715428D+01 -0.182284D+01  0.251745D+01
               186           187           188           189           190 
      1   0.110446D+01 -0.123954D+02  0.300927D+01  0.580253D+01  0.395640D+01
      2   0.269884D+01  0.700118D+00  0.539596D+01 -0.259239D+01 -0.239339D+01
      3  -0.380330D+01  0.116953D+02 -0.840522D+01 -0.321015D+01 -0.156302D+01
      4  -0.639159D+01  0.169811D+02 -0.152078D+02 -0.961898D+01 -0.663706D+01
      5  -0.310897D+01  0.991400D+01 -0.566861D+01 -0.436575D+01  0.711556D+01
      6   0.391048D+01 -0.740808D+01  0.475022D+01  0.340999D+01 -0.304672D+01
               191           192           193           194           195 
      1  -0.430197D+01  0.435223D+01 -0.585203D+00 -0.233396D+01  0.254748D+01
      2   0.243964D+01 -0.468733D+01 -0.367625D-01 -0.723181D-01 -0.433651D+01
      3   0.186233D+01  0.335101D+00  0.621965D+00  0.240628D+01  0.178903D+01
      4   0.469568D+01 -0.266538D+01  0.243763D+01  0.112214D+01  0.337755D+01
      5  -0.111489D+01  0.104309D+02  0.124662D+01  0.353335D+01  0.227717D+01
      6   0.466756D+00 -0.371927D+01  0.324205D+00 -0.161665D+01  0.482836D+01
               196           197           198           199           200 
      1   0.386856D+01  0.471330D+01 -0.990526D+01 -0.153426D+01 -0.860448D+00
      2  -0.626212D+01 -0.469732D+01 -0.174600D+02  0.158805D+01  0.704552D+00
      3   0.239356D+01 -0.159817D-01  0.273652D+02 -0.537896D-01  0.155896D+00
      4  -0.567838D+01  0.820374D+01 -0.881095D+01 -0.193499D+00  0.133458D+01
      5   0.155965D+02 -0.631219D+01  0.436246D+02  0.390199D+00 -0.497033D+00
      6  -0.744653D+01  0.986940D+01 -0.301456D+02 -0.666229D+00  0.171794D+00
               201           202           203           204           205 
      1   0.112016D+01 -0.158085D+01 -0.207014D+01  0.509176D+01  0.525421D+01
      2  -0.693865D+00 -0.230865D+01  0.132527D+01 -0.270727D+01 -0.269059D+01
      3  -0.426295D+00  0.388951D+01  0.744874D+00 -0.238449D+01 -0.256362D+01
      4  -0.723411D+00  0.759925D+00 -0.138962D+01  0.201774D+01 -0.456133D+00
      5   0.240237D+01 -0.639954D+00  0.115869D+01 -0.810649D+00  0.167366D+01
      6   0.922556D-01  0.108684D+01 -0.370752D+01  0.373834D+01  0.701169D+00
               206           207           208           209           210 
      1   0.613899D+01 -0.126349D+02  0.206774D+01  0.252477D+01 -0.593705D+01
      2  -0.435274D+01  0.106466D+01 -0.317449D+01 -0.139938D+01  0.231425D+01
      3  -0.178625D+01  0.115702D+02  0.110676D+01 -0.112539D+01  0.362279D+01
      4   0.201279D+01 -0.306716D+01  0.275918D+01  0.136963D+01 -0.156395D+01
      5  -0.188796D+01  0.433823D+01 -0.543274D+01 -0.174178D+01  0.423167D+01
      6   0.497574D+01 -0.722713D+01 -0.196535D+01  0.201489D+00  0.443332D+00
               211           212           213           214           215 
      1   0.240839D+01 -0.435554D+01  0.442760D+01 -0.239822D+01  0.478969D+01
      2  -0.427262D+01  0.689836D+00  0.157772D+01  0.350922D+01  0.179372D+00
      3   0.186423D+01  0.366571D+01 -0.600533D+01 -0.111100D+01 -0.496906D+01
      4  -0.194226D+01  0.183621D+01 -0.266344D+01 -0.359977D+01 -0.356496D+01
      5  -0.509541D+01 -0.371248D+01  0.695057D+01  0.724555D+01  0.578671D+01
      6   0.137343D+01 -0.326848D+01  0.439624D+01  0.247309D+01  0.621800D+01
               216           217           218           219           220 
      1  -0.189219D+02  0.160470D+02 -0.684609D+01 -0.717232D+01 -0.182466D+02
      2  -0.733898D+01 -0.115435D+02  0.418359D+01  0.570843D+01  0.119821D+02
      3   0.262609D+02 -0.450352D+01  0.266249D+01  0.146390D+01  0.626449D+01
      4   0.448988D+01 -0.755741D+01  0.356264D+01  0.535080D+01  0.120536D+02
      5  -0.209467D+02 -0.895753D+01  0.616268D+01  0.120952D+02  0.156079D+02
      6  -0.657799D+01  0.278638D+01 -0.442180D+00 -0.758727D+00 -0.412323D+01
               221           222           223           224           225 
      1   0.110679D+01  0.496011D+01 -0.210627D+02 -0.174261D+00  0.891939D+01
      2  -0.155184D+01 -0.964747D+01  0.169472D+02 -0.526279D+01 -0.227115D+02
      3   0.445055D+00  0.468737D+01  0.411553D+01  0.543705D+01  0.137921D+02
      4  -0.136597D+02 -0.202156D+02  0.491400D+01 -0.192110D+02 -0.169406D+02
      5  -0.189684D+02 -0.256635D+02  0.329593D+02 -0.155761D+02 -0.584801D+02
      6   0.575906D+01  0.881626D+01 -0.251324D+01  0.704213D+01  0.650980D+01
               226           227           228           229           230 
      1   0.102595D+03  0.180083D+01  0.239588D+02 -0.616383D+01  0.962584D+01
      2  -0.489785D+02  0.222406D+00 -0.103373D+02  0.414608D+01 -0.296335D+01
      3  -0.536166D+02 -0.202324D+01 -0.136214D+02  0.201775D+01 -0.666248D+01
      4   0.650375D+01  0.130517D+02  0.275625D+01  0.145677D+02  0.330525D+01
      5   0.198774D+02  0.186756D+01  0.170943D+02  0.884172D+00  0.180718D+01
      6   0.315582D+01 -0.894770D-01  0.188677D+01  0.200354D+00 -0.549899D+00
               231           232           233           234           235 
      1   0.475423D+00  0.495568D+02  0.286013D+01  0.197947D+02  0.251698D+01
      2  -0.920505D+00 -0.234376D+02 -0.137022D+01 -0.111355D+02  0.365660D+00
      3   0.445083D+00 -0.261191D+02 -0.148991D+01 -0.865924D+01 -0.288264D+01
      4   0.223626D+01  0.532117D+01  0.693490D+01 -0.277164D-02  0.422059D+01
      5  -0.277598D+01  0.228211D+02 -0.589142D+00  0.164947D+02  0.267491D+01
      6   0.218597D+01  0.252717D+01  0.175158D+01  0.256570D+01 -0.219955D+01
               236           237           238           239           240 
      1   0.947317D+01  0.202392D+00  0.196941D+02 -0.107083D+02  0.343077D+01
      2  -0.637551D+01  0.185266D+00 -0.560055D+01  0.237995D+02 -0.512251D+01
      3  -0.309766D+01 -0.387658D+00 -0.140936D+02 -0.130912D+02  0.169174D+01
      4  -0.268795D+00  0.158664D+01  0.205777D+02  0.620331D+02 -0.214397D+02
      5   0.801088D+00  0.471414D-01 -0.839388D+01 -0.197234D+02  0.141563D+02
      6   0.137266D+01 -0.157736D+01 -0.433552D+01 -0.173857D+02  0.113535D+02
               241           242           243 
      1  -0.458421D+01  0.412929D+01  0.630902D+00
      2   0.270480D+01 -0.337278D+01 -0.115231D+01
      3   0.187940D+01 -0.756507D+00  0.521408D+00
      4  -0.357096D+01 -0.164516D+02  0.114386D+02
      5   0.122419D+02  0.116543D+02 -0.176361D+02
      6   0.184122D+01  0.991503D+01 -0.628740D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:21:38 2021, MaxMem=  5368709120 cpu:           57380.1 elap:            7175.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.45788 -10.52772 -10.45751 -10.45258 -10.44509
 Alpha  occ. eigenvalues --  -10.44242 -10.43824 -10.43815 -10.43262 -10.42724
 Alpha  occ. eigenvalues --  -10.42669  -1.17742  -1.01595  -0.93774  -0.89063
 Alpha  occ. eigenvalues --   -0.88105  -0.82824  -0.81125  -0.74485  -0.72245
 Alpha  occ. eigenvalues --   -0.66341  -0.64010  -0.60637  -0.59402  -0.57700
 Alpha  occ. eigenvalues --   -0.56479  -0.55884  -0.55409  -0.53154  -0.51950
 Alpha  occ. eigenvalues --   -0.50339  -0.50204  -0.49120  -0.47818  -0.46890
 Alpha  occ. eigenvalues --   -0.46308  -0.45426  -0.42020  -0.41140  -0.40100
 Alpha  occ. eigenvalues --   -0.35946  -0.35693
 Alpha virt. eigenvalues --   -0.01474  -0.00728  -0.00438  -0.00087   0.00813
 Alpha virt. eigenvalues --    0.01077   0.01391   0.01583   0.01912   0.02365
 Alpha virt. eigenvalues --    0.02977   0.03323   0.03559   0.04772   0.04941
 Alpha virt. eigenvalues --    0.05143   0.05304   0.06311   0.07224   0.07914
 Alpha virt. eigenvalues --    0.08608   0.09232   0.09870   0.10470   0.10651
 Alpha virt. eigenvalues --    0.10928   0.11467   0.11763   0.11832   0.12458
 Alpha virt. eigenvalues --    0.12739   0.13095   0.13399   0.13524   0.13962
 Alpha virt. eigenvalues --    0.14036   0.14298   0.14709   0.15181   0.15867
 Alpha virt. eigenvalues --    0.16111   0.16832   0.17038   0.17528   0.17714
 Alpha virt. eigenvalues --    0.18745   0.19191   0.19447   0.20392   0.20734
 Alpha virt. eigenvalues --    0.21192   0.21856   0.22582   0.22740   0.24084
 Alpha virt. eigenvalues --    0.24866   0.25251   0.25421   0.26414   0.26839
 Alpha virt. eigenvalues --    0.26954   0.27248   0.28205   0.28390   0.28810
 Alpha virt. eigenvalues --    0.29410   0.29795   0.30374   0.30381   0.31606
 Alpha virt. eigenvalues --    0.31927   0.32334   0.32806   0.33457   0.34368
 Alpha virt. eigenvalues --    0.35395   0.35733   0.36022   0.36352   0.36748
 Alpha virt. eigenvalues --    0.37096   0.37381   0.38725   0.39252   0.39655
 Alpha virt. eigenvalues --    0.40349   0.40895   0.41194   0.41778   0.41876
 Alpha virt. eigenvalues --    0.42593   0.42753   0.43099   0.43648   0.44106
 Alpha virt. eigenvalues --    0.44342   0.44646   0.45406   0.45520   0.46595
 Alpha virt. eigenvalues --    0.46784   0.47241   0.47789   0.48722   0.49107
 Alpha virt. eigenvalues --    0.50723   0.50964   0.51345   0.51552   0.52448
 Alpha virt. eigenvalues --    0.52708   0.53552   0.53926   0.54817   0.54991
 Alpha virt. eigenvalues --    0.55365   0.55498   0.56286   0.57030   0.57187
 Alpha virt. eigenvalues --    0.57875   0.58168   0.58566   0.59166   0.59555
 Alpha virt. eigenvalues --    0.59793   0.60253   0.60877   0.61781   0.62089
 Alpha virt. eigenvalues --    0.62350   0.62576   0.63237   0.63952   0.64515
 Alpha virt. eigenvalues --    0.64814   0.65524   0.66601   0.66649   0.67310
 Alpha virt. eigenvalues --    0.67944   0.68260   0.69004   0.69379   0.70396
 Alpha virt. eigenvalues --    0.70874   0.71057   0.71292   0.72332   0.72537
 Alpha virt. eigenvalues --    0.73314   0.74284   0.74361   0.74671   0.75010
 Alpha virt. eigenvalues --    0.75361   0.76446   0.76850   0.77047   0.77551
 Alpha virt. eigenvalues --    0.77711   0.79025   0.79188   0.80518   0.81074
 Alpha virt. eigenvalues --    0.81904   0.82233   0.82930   0.83897   0.84714
 Alpha virt. eigenvalues --    0.85147   0.85744   0.85927   0.86540   0.87244
 Alpha virt. eigenvalues --    0.89333   0.90014   0.91479   0.91502   0.93534
 Alpha virt. eigenvalues --    0.93824   0.94273   0.96499   0.98137   0.98833
 Alpha virt. eigenvalues --    0.99247   0.99799   1.01265   1.01735   1.02294
 Alpha virt. eigenvalues --    1.03560   1.04945   1.05942   1.06919   1.07605
 Alpha virt. eigenvalues --    1.09435   1.10379   1.11327   1.12450   1.13347
 Alpha virt. eigenvalues --    1.14229   1.14965   1.15915   1.18249   1.19071
 Alpha virt. eigenvalues --    1.20431   1.22142   1.22988   1.24075   1.25751
 Alpha virt. eigenvalues --    1.27026   1.27714   1.29841   1.30237   1.31917
 Alpha virt. eigenvalues --    1.33737   1.35088   1.35894   1.37590   1.38609
 Alpha virt. eigenvalues --    1.40865   1.42533   1.43472   1.44303   1.47002
 Alpha virt. eigenvalues --    1.50201   1.50267   1.53244   1.54333   1.55285
 Alpha virt. eigenvalues --    1.56354   1.56562   1.58007   1.58815   1.60480
 Alpha virt. eigenvalues --    1.61623   1.62598   1.62774   1.64471   1.65618
 Alpha virt. eigenvalues --    1.65838   1.66378   1.67983   1.68982   1.70774
 Alpha virt. eigenvalues --    1.71868   1.72312   1.73399   1.74378   1.75111
 Alpha virt. eigenvalues --    1.76957   1.77279   1.79357   1.80229   1.81341
 Alpha virt. eigenvalues --    1.81778   1.83776   1.84861   1.85429   1.86254
 Alpha virt. eigenvalues --    1.87120   1.87767   1.89378   1.90832   1.91461
 Alpha virt. eigenvalues --    1.92267   1.94867   1.95418   1.96735   1.97256
 Alpha virt. eigenvalues --    1.98009   2.01120   2.01774   2.02509   2.05042
 Alpha virt. eigenvalues --    2.06666   2.07191   2.07588   2.07891   2.08763
 Alpha virt. eigenvalues --    2.10675   2.11037   2.12038   2.12735   2.13204
 Alpha virt. eigenvalues --    2.14828   2.15793   2.17484   2.18853   2.19363
 Alpha virt. eigenvalues --    2.20994   2.21827   2.22563   2.23120   2.24896
 Alpha virt. eigenvalues --    2.25902   2.27476   2.28839   2.30482   2.30741
 Alpha virt. eigenvalues --    2.32093   2.33337   2.34976   2.35532   2.39133
 Alpha virt. eigenvalues --    2.39424   2.39917   2.41636   2.42534   2.44626
 Alpha virt. eigenvalues --    2.46453   2.47710   2.49183   2.49985   2.52492
 Alpha virt. eigenvalues --    2.53347   2.54232   2.55679   2.57786   2.58572
 Alpha virt. eigenvalues --    2.60253   2.62225   2.62738   2.64045   2.64815
 Alpha virt. eigenvalues --    2.67062   2.67820   2.68528   2.71618   2.71929
 Alpha virt. eigenvalues --    2.74460   2.77114   2.79189   2.80536   2.85534
 Alpha virt. eigenvalues --    2.87616   2.90891   2.95647   2.97504   3.01850
 Alpha virt. eigenvalues --    3.06148   3.09078   3.10098   3.19396   3.25480
 Alpha virt. eigenvalues --    3.31889   3.47688   3.49867   3.53907   3.59756
 Alpha virt. eigenvalues --    3.63423   3.75959   3.79982   3.94892   4.92161
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.407152  -0.698837  -0.077751  -0.964027   0.291169  -0.035239
     2  C   -0.698837  11.146437  -5.257409   2.529630  -1.087433   0.114234
     3  C   -0.077751  -5.257409  30.114800 -15.402622   2.734760  -1.012689
     4  C   -0.964027   2.529630 -15.402622  28.003043 -10.000823  -0.206246
     5  C    0.291169  -1.087433   2.734760 -10.000823  17.720526  -2.831311
     6  C   -0.035239   0.114234  -1.012689  -0.206246  -2.831311   9.492726
     7  O   -0.000835  -0.009039   0.050606  -0.106337   0.001092   0.765387
     8  C   -0.296313  -0.674962  -0.580755   0.395906  -0.252352   0.003109
     9  C   -0.603704  -1.350616   1.671843  -0.173945   0.172439  -0.029490
    10  C    0.129200   1.691087  -2.976743   1.023731  -0.793266   0.015420
    11  C    0.000951  -0.005318   0.048157  -0.677818   0.391106  -0.070964
    12  H    0.112790   0.245320  -0.418959   0.182881   0.025364  -0.001099
    13  H    0.007876  -0.150153   0.502636  -0.178369   0.016386   0.000602
    14  H    0.198269   0.720722  -3.960034   0.981748   0.318455   0.008338
    15  H    0.206294   0.153013  -0.575868  -0.149276   0.191188  -0.026973
    16  H   -0.110984  -0.134280   0.091694   0.590732  -0.164203   0.031036
    17  H   -0.102147   0.705084   0.035046  -0.145010  -0.046487  -0.019458
    18  H   -0.002811  -0.112352   0.116050  -0.007830   0.019448   0.005973
    19  H    0.369355  -0.150800  -0.480941   0.180066   0.066462   0.007378
    20  H    0.030475  -0.158616   0.033716  -0.021030   0.005117  -0.004270
    21  H    0.071622  -0.219292   0.268049  -0.035571   0.000208   0.003263
    22  H   -0.100921   0.546295  -0.394134   0.230399  -0.073804   0.004042
    23  H    0.113834  -0.284203   0.802551  -2.611834   0.316074   0.152114
    24  H    0.012135   0.048037  -0.436143   1.615989  -2.619655   0.374803
    25  H   -0.000020  -0.002295  -0.022016   0.025206  -0.085820   0.032629
    26  H    0.001075  -0.001087   0.025450  -0.058701   0.320313  -0.049593
    27  H   -0.003452   0.005594  -0.011440   0.007192  -0.080269   0.012275
               7          8          9         10         11         12
     1  C   -0.000835  -0.296313  -0.603704   0.129200   0.000951   0.112790
     2  C   -0.009039  -0.674962  -1.350616   1.691087  -0.005318   0.245320
     3  C    0.050606  -0.580755   1.671843  -2.976743   0.048157  -0.418959
     4  C   -0.106337   0.395906  -0.173945   1.023731  -0.677818   0.182881
     5  C    0.001092  -0.252352   0.172439  -0.793266   0.391106   0.025364
     6  C    0.765387   0.003109  -0.029490   0.015420  -0.070964  -0.001099
     7  O    7.755932  -0.000806   0.003923  -0.006578  -0.053915   0.000434
     8  C   -0.000806   6.662922  -0.525064   0.097410  -0.012199  -0.222520
     9  C    0.003923  -0.525064   8.039420  -1.197371  -0.001185  -0.383314
    10  C   -0.006578   0.097410  -1.197371   7.985619  -0.030441  -0.051244
    11  C   -0.053915  -0.012199  -0.001185  -0.030441   5.346054   0.000544
    12  H    0.000434  -0.222520  -0.383314  -0.051244   0.000544   2.755977
    13  H   -0.000231   0.087656  -0.522465   0.040578   0.000014  -0.817926
    14  H    0.002601  -0.245848  -0.229449  -0.010096   0.024681   0.071678
    15  H    0.003245   0.027223  -0.185285  -0.276739  -0.000059   0.281869
    16  H   -0.001391   0.056053   0.087812  -0.360401  -0.001281  -0.249163
    17  H    0.000066  -0.017377  -0.272712  -0.012895  -0.000196  -0.002216
    18  H    0.000205   0.006440   0.213280  -0.061682   0.000607   0.054937
    19  H   -0.000740  -0.015082  -0.101159   0.105350   0.000635  -0.006049
    20  H   -0.000113   0.546339  -0.106129  -0.034750  -0.001830   0.003039
    21  H   -0.000067  -0.087757   0.195423  -0.096166  -0.000287  -0.028378
    22  H   -0.000258  -0.013404  -0.176764   0.270945  -0.001676  -0.069987
    23  H   -0.077384  -0.115742   0.122808  -0.292559   0.031179  -0.003800
    24  H   -0.083490   0.029209  -0.015300   0.053095  -0.298612  -0.000909
    25  H    0.021150   0.000854  -0.000411  -0.003307   0.370547   0.000131
    26  H   -0.021538   0.000058  -0.000309   0.000266   0.048835  -0.000059
    27  H    0.023788  -0.003922   0.000828  -0.002342   0.381924   0.000242
              13         14         15         16         17         18
     1  C    0.007876   0.198269   0.206294  -0.110984  -0.102147  -0.002811
     2  C   -0.150153   0.720722   0.153013  -0.134280   0.705084  -0.112352
     3  C    0.502636  -3.960034  -0.575868   0.091694   0.035046   0.116050
     4  C   -0.178369   0.981748  -0.149276   0.590732  -0.145010  -0.007830
     5  C    0.016386   0.318455   0.191188  -0.164203  -0.046487   0.019448
     6  C    0.000602   0.008338  -0.026973   0.031036  -0.019458   0.005973
     7  O   -0.000231   0.002601   0.003245  -0.001391   0.000066   0.000205
     8  C    0.087656  -0.245848   0.027223   0.056053  -0.017377   0.006440
     9  C   -0.522465  -0.229449  -0.185285   0.087812  -0.272712   0.213280
    10  C    0.040578  -0.010096  -0.276739  -0.360401  -0.012895  -0.061682
    11  C    0.000014   0.024681  -0.000059  -0.001281  -0.000196   0.000607
    12  H   -0.817926   0.071678   0.281869  -0.249163  -0.002216   0.054937
    13  H    2.556333   0.009720  -0.322687   0.203662  -0.030758  -0.076449
    14  H    0.009720   4.143640   0.176071  -0.205646   0.018335  -0.013242
    15  H   -0.322687   0.176071   2.906338  -0.788504  -0.039095   0.039053
    16  H    0.203662  -0.205646  -0.788504   2.323965  -0.019649  -0.007952
    17  H   -0.030758   0.018335  -0.039095  -0.019649   2.533279  -0.621459
    18  H   -0.076449  -0.013242   0.039053  -0.007952  -0.621459   2.247765
    19  H    0.029613   0.042058   0.006874   0.004940  -0.614357  -0.554763
    20  H   -0.003296  -0.018096  -0.005484   0.001583   0.028144   0.022834
    21  H    0.028855   0.050482  -0.006881   0.001148   0.013950  -0.057314
    22  H    0.018466  -0.179612   0.004835   0.025434  -0.035597   0.016513
    23  H    0.009658   0.111184  -0.126186   0.022292  -0.073489   0.007451
    24  H   -0.001319  -0.192090   0.002881   0.015192  -0.012410   0.003128
    25  H   -0.000064   0.002782   0.000098  -0.000313   0.000062   0.000106
    26  H    0.000066  -0.000548  -0.000114   0.000268  -0.000092   0.000056
    27  H   -0.000065   0.003739  -0.000015  -0.000302   0.000102  -0.000250
              19         20         21         22         23         24
     1  C    0.369355   0.030475   0.071622  -0.100921   0.113834   0.012135
     2  C   -0.150800  -0.158616  -0.219292   0.546295  -0.284203   0.048037
     3  C   -0.480941   0.033716   0.268049  -0.394134   0.802551  -0.436143
     4  C    0.180066  -0.021030  -0.035571   0.230399  -2.611834   1.615989
     5  C    0.066462   0.005117   0.000208  -0.073804   0.316074  -2.619655
     6  C    0.007378  -0.004270   0.003263   0.004042   0.152114   0.374803
     7  O   -0.000740  -0.000113  -0.000067  -0.000258  -0.077384  -0.083490
     8  C   -0.015082   0.546339  -0.087757  -0.013404  -0.115742   0.029209
     9  C   -0.101159  -0.106129   0.195423  -0.176764   0.122808  -0.015300
    10  C    0.105350  -0.034750  -0.096166   0.270945  -0.292559   0.053095
    11  C    0.000635  -0.001830  -0.000287  -0.001676   0.031179  -0.298612
    12  H   -0.006049   0.003039  -0.028378  -0.069987  -0.003800  -0.000909
    13  H    0.029613  -0.003296   0.028855   0.018466   0.009658  -0.001319
    14  H    0.042058  -0.018096   0.050482  -0.179612   0.111184  -0.192090
    15  H    0.006874  -0.005484  -0.006881   0.004835  -0.126186   0.002881
    16  H    0.004940   0.001583   0.001148   0.025434   0.022292   0.015192
    17  H   -0.614357   0.028144   0.013950  -0.035597  -0.073489  -0.012410
    18  H   -0.554763   0.022834  -0.057314   0.016513   0.007451   0.003128
    19  H    2.282790  -0.091161   0.038142   0.019336   0.024884   0.010578
    20  H   -0.091161   1.688311  -0.349837  -0.452230  -0.007061  -0.000913
    21  H    0.038142  -0.349837   1.829798  -0.491725  -0.002724  -0.001503
    22  H    0.019336  -0.452230  -0.491725   2.103758  -0.005668   0.019513
    23  H    0.024884  -0.007061  -0.002724  -0.005668   3.661552   0.187132
    24  H    0.010578  -0.000913  -0.001503   0.019513   0.187132   3.378588
    25  H   -0.000736   0.000453  -0.000036   0.000065  -0.006807  -0.082373
    26  H    0.000764  -0.000235   0.000012   0.000055   0.005647   0.026229
    27  H   -0.000149  -0.000895   0.000125  -0.000796  -0.004573  -0.088042
              25         26         27
     1  C   -0.000020   0.001075  -0.003452
     2  C   -0.002295  -0.001087   0.005594
     3  C   -0.022016   0.025450  -0.011440
     4  C    0.025206  -0.058701   0.007192
     5  C   -0.085820   0.320313  -0.080269
     6  C    0.032629  -0.049593   0.012275
     7  O    0.021150  -0.021538   0.023788
     8  C    0.000854   0.000058  -0.003922
     9  C   -0.000411  -0.000309   0.000828
    10  C   -0.003307   0.000266  -0.002342
    11  C    0.370547   0.048835   0.381924
    12  H    0.000131  -0.000059   0.000242
    13  H   -0.000064   0.000066  -0.000065
    14  H    0.002782  -0.000548   0.003739
    15  H    0.000098  -0.000114  -0.000015
    16  H   -0.000313   0.000268  -0.000302
    17  H    0.000062  -0.000092   0.000102
    18  H    0.000106   0.000056  -0.000250
    19  H   -0.000736   0.000764  -0.000149
    20  H    0.000453  -0.000235  -0.000895
    21  H   -0.000036   0.000012   0.000125
    22  H    0.000065   0.000055  -0.000796
    23  H   -0.006807   0.005647  -0.004573
    24  H   -0.082373   0.026229  -0.088042
    25  H    1.053108  -0.204139  -0.116092
    26  H   -0.204139   1.240227  -0.204009
    27  H   -0.116092  -0.204009   1.060374
 Mulliken charges:
               1
     1  C    1.044844
     2  C   -1.608760
     3  C    1.112146
     4  C    0.972916
     5  C    1.445319
     6  C   -0.735998
     7  O   -0.265708
     8  C    1.150926
     9  C    1.366896
    10  C    0.793878
    11  C    0.510549
    12  H   -0.479582
    13  H   -0.408340
    14  H   -0.829843
    15  H   -0.495816
    16  H   -0.411742
    17  H   -0.268668
    18  H   -0.237740
    19  H   -0.173289
    20  H   -0.104063
    21  H   -0.123540
    22  H   -0.263079
    23  H   -0.956331
    24  H   -0.943747
    25  H    0.017239
    26  H   -0.128898
    27  H    0.020430
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.365147
     2  C   -1.608760
     3  C    0.282304
     4  C    0.016586
     5  C    0.501571
     6  C   -0.735998
     7  O   -0.265708
     8  C    0.660244
     9  C    0.478974
    10  C   -0.113680
    11  C    0.419320
 Electronic spatial extent (au):  <R**2>=           2525.5632
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.6699    Y=              0.8529    Z=             -2.6081  Tot=              3.2121
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -69.2243   YY=            -69.3668   ZZ=            -70.7269
   XY=              3.6084   XZ=             -9.0801   YZ=              0.5299
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.5484   YY=              0.4058   ZZ=             -0.9543
   XY=              3.6084   XZ=             -9.0801   YZ=              0.5299
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             14.4682  YYY=             -0.6613  ZZZ=             -5.2931  XYY=              3.5994
  XXY=             12.3219  XXZ=            -26.2250  XZZ=             -8.4270  YZZ=              0.0332
  YYZ=              2.0395  XYZ=              2.5579
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2537.5891 YYYY=           -466.2212 ZZZZ=           -398.0671 XXXY=             25.6676
 XXXZ=            -84.5375 YYYX=              4.7377 YYYZ=             -1.1788 ZZZX=             -6.0073
 ZZZY=             -0.4324 XXYY=           -511.3089 XXZZ=           -524.6751 YYZZ=           -141.3746
 XXYZ=             13.9695 YYXZ=             -1.4558 ZZXY=              6.3775
 N-N= 6.070736928418D+02 E-N=-2.295150587732D+03  KE= 4.625385764548D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:21:39 2021, MaxMem=  5368709120 cpu:               4.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.91470027D-01 3.08381737D-01-9.74521973D-01
 Polarizability= 1.61954153D+02 5.39450538D+00 1.04291144D+02
                -2.77385528D+00-3.01374036D+00 1.09144327D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.4979    1.4972        2.8258    2.8209
 2     -1.4979   -1.4972        1.4247    1.4219      -30.8747  -30.8731
 3     -2.8258   -2.8209       28.7262   28.7210       -1.4170   -1.4219
 4     -1.4247   -1.4219       -0.0000    0.0000       -2.8148   -2.8209
 5      2.1485    2.1522        2.8148    2.8209        1.5054    1.4972
 6      1.4170    1.4219       -1.5054   -1.4972        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.4915   -4.4915        8.4627    8.4627
 2     -4.2657   -4.2657        0.0000    0.0000        8.4627    8.4627
 3     -4.2657   -4.2657       -4.4915   -4.4915        0.0000    0.0000
 4     -4.4915   -4.4915        4.2657    4.2657      -92.6194  -92.6194
 5     -8.4627   -8.4627       86.1629   86.1629       -4.2657   -4.2657
 6      6.4565    6.4565        8.4627    8.4627        4.4915    4.4915
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0907    0.0000       -6.4117   -5.9887      -11.3283  -11.2836
 2      6.0176    5.9887       -5.9432   -5.6876      123.2316  123.4925
 3     11.3784   11.2836     -114.8234 -114.8838        5.9301    5.6876
 4      5.5776    5.6876       -0.1173    0.0000       11.5493   11.2836
 5     -8.6023   -8.6087      -11.6121  -11.2836       -5.9211   -5.9887
 6     -5.7050   -5.6876        5.4901    5.9887        0.1612    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.4866    0.0000      -31.8577  -31.8905      -23.9192  -23.9266
 2     31.4435   31.8905       34.0511   33.4248       13.8388   13.3070
 3     24.4174   23.9266       39.2623   39.5246      -34.2356  -33.4248
 4    -34.3825  -33.4248        0.1705    0.0000       24.1780   23.9266
 5    -53.6102  -52.8316      -25.3883  -23.9266      -31.4656  -31.8905
 6     33.9355   33.4248       32.1694   31.8905        0.2353    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -52.4285  -52.7152      -26.7225  -26.1081        3.3397    2.7972
 2    -85.0697  -83.9979      -55.1757  -54.7151        3.1780    2.7972
 3    -85.0378  -83.9979      -26.5007  -26.1081       -3.1538   -3.7767
 4     28.3455   28.6071       31.8459   31.2826       40.0868   38.7823
 5     -6.4503   -6.5739       36.4788   35.9879      -32.8209  -31.2826
 6    -75.2865  -74.7702        4.5425    6.5739      -27.4067  -28.6071
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9635   -2.8729   -0.0008   -0.0004    0.0002    4.5301
 Low frequencies ---   32.1270   63.4798   78.6601
 Diagonal vibrational polarizability:
       20.2521150      75.1209858      11.1512478
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     32.1132                63.4792                78.6590
 Red. masses --      3.3272                 3.9353                 3.1815
 Frc consts  --      0.0020                 0.0093                 0.0116
 IR Inten    --      2.7823                 1.5390                 0.9613
 RamAct Fr= 1--      1.9030                 1.0146                 0.2579
  Dep-P Fr= 1--      0.7255                 0.7166                 0.4870
  Dep-U Fr= 1--      0.8409                 0.8349                 0.6550
 Alpha2 Fr= 1--      0.0008                 0.0006                 0.0014
 Beta2  Fr= 1--      0.2667                 0.1412                 0.0282
 AlphaG Fr= 1--     -0.0037                 0.0060                 0.0090
 Gamma2 Fr= 1--     -0.1305                 0.0883                 0.3348
 Delta2 Fr= 1--     -0.0435                -0.0457                 0.0787
 Raman1 Fr= 1--       7.612                  4.058                  1.032
 ROA1   Fr= 1--     -13.918                  7.009                 34.658
 CID1   Fr= 1--      -1.828                  1.727                 33.597
 Raman2 Fr= 1--       3.201                  1.694                  0.338
 ROA2   Fr= 1--      -2.784                  2.484                  7.405
 CID2   Fr= 1--      -0.870                  1.466                 21.917
 Raman3 Fr= 1--       6.401                  3.388                  0.676
 ROA3   Fr= 1--     -13.918                  7.009                 34.658
 CID3   Fr= 1--      -2.174                  2.069                 51.292
 RC180  Fr= 1--       0.682                  0.670                  0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.07  -0.03     0.06  -0.12   0.02     0.23   0.04  -0.01
     2   6     0.04   0.01  -0.02     0.07  -0.02   0.00     0.04  -0.01   0.01
     3   6    -0.01  -0.09  -0.01    -0.01  -0.12  -0.01    -0.02   0.01  -0.11
     4   6    -0.01  -0.11  -0.02    -0.01  -0.15  -0.02    -0.01  -0.02  -0.14
     5   6    -0.03  -0.01   0.01    -0.04  -0.04  -0.00     0.00   0.05  -0.07
     6   6    -0.03   0.00   0.01    -0.04   0.08   0.01    -0.05   0.02   0.03
     7   8     0.01  -0.17  -0.06    -0.05   0.25   0.06    -0.16   0.05   0.05
     8   6     0.11  -0.01  -0.08     0.24   0.05   0.07    -0.08  -0.03   0.01
     9   6    -0.03   0.04   0.06    -0.04   0.09  -0.06     0.01  -0.03   0.15
    10   6    -0.08  -0.03   0.07    -0.13  -0.04  -0.02    -0.01  -0.00  -0.08
    11   6    -0.08   0.27   0.09    -0.05  -0.01  -0.05     0.04  -0.06   0.12
    12   1    -0.04   0.03   0.06     0.03   0.16  -0.09    -0.17  -0.02   0.26
    13   1    -0.02   0.12   0.09    -0.12   0.15  -0.11     0.16  -0.06   0.28
    14   1    -0.02  -0.14  -0.02    -0.01  -0.12  -0.01    -0.06   0.05  -0.10
    15   1    -0.09  -0.01   0.09    -0.21  -0.04  -0.00     0.12  -0.07  -0.15
    16   1    -0.14  -0.07   0.10    -0.17  -0.05  -0.01    -0.12   0.06  -0.13
    17   1     0.04   0.09   0.01    -0.05  -0.17  -0.03     0.29   0.05  -0.01
    18   1     0.12   0.15  -0.03     0.09  -0.06   0.02     0.28   0.05   0.09
    19   1     0.13   0.04  -0.09     0.12  -0.22   0.07     0.25   0.05  -0.14
    20   1     0.16  -0.05  -0.14     0.33  -0.07   0.11    -0.07  -0.01  -0.11
    21   1     0.15   0.07  -0.08     0.30   0.15   0.09    -0.03  -0.04   0.12
    22   1     0.07  -0.06  -0.07     0.23   0.12   0.07    -0.22  -0.07   0.04
    23   1     0.01  -0.20  -0.05     0.00  -0.17  -0.03    -0.01  -0.09  -0.16
    24   1    -0.05   0.08   0.04    -0.06  -0.03   0.00     0.06   0.11  -0.05
    25   1    -0.01   0.44  -0.02    -0.01  -0.16   0.05     0.10  -0.11   0.15
    26   1    -0.07   0.26   0.08    -0.06   0.12  -0.03    -0.02  -0.07   0.20
    27   1    -0.19   0.31   0.27    -0.08  -0.07  -0.23     0.11  -0.07   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.5158               134.1099               156.7667
 Red. masses --      1.1395                 2.3320                 2.9904
 Frc consts  --      0.0090                 0.0247                 0.0433
 IR Inten    --      0.0020                 0.1368                 1.6991
 RamAct Fr= 1--      0.6202                 1.0225                 0.5512
  Dep-P Fr= 1--      0.6982                 0.7210                 0.6497
  Dep-U Fr= 1--      0.8223                 0.8379                 0.7877
 Alpha2 Fr= 1--      0.0006                 0.0005                 0.0010
 Beta2  Fr= 1--      0.0850                 0.1428                 0.0724
 AlphaG Fr= 1--     -0.0016                -0.0015                -0.0048
 Gamma2 Fr= 1--     -0.0517                 0.5384                -0.4050
 Delta2 Fr= 1--      0.0073                 0.0713                -0.1089
 Raman1 Fr= 1--       2.481                  4.090                  2.205
 ROA1   Fr= 1--      -4.725                 53.971                -42.367
 CID1   Fr= 1--      -1.904                 13.196                -19.216
 Raman2 Fr= 1--       1.020                  1.713                  0.868
 ROA2   Fr= 1--      -1.298                 12.352                 -8.849
 CID2   Fr= 1--      -1.273                  7.209                -10.191
 Raman3 Fr= 1--       2.040                  3.427                  1.737
 ROA3   Fr= 1--      -4.725                 53.971                -42.367
 CID3   Fr= 1--      -2.316                 15.749                -24.396
 RC180  Fr= 1--       0.645                  0.676                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01     0.01   0.03  -0.01    -0.04  -0.08  -0.00
     2   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.00  -0.01  -0.02
     3   6     0.00   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.03   0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.05   0.04     0.03   0.09  -0.09
     5   6     0.02  -0.07  -0.03    -0.06   0.24   0.14    -0.01   0.17  -0.09
     6   6     0.00  -0.01  -0.01    -0.01   0.06   0.04    -0.03   0.04  -0.05
     7   8    -0.00  -0.03  -0.01     0.06  -0.07  -0.01    -0.14  -0.06  -0.07
     8   6    -0.02   0.01   0.02     0.02  -0.03  -0.05     0.07   0.03   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.01  -0.01  -0.05
    10   6     0.01   0.01   0.00    -0.01  -0.01  -0.05     0.04  -0.04   0.22
    11   6    -0.00   0.05   0.02    -0.02  -0.07  -0.06     0.08  -0.05   0.07
    12   1     0.00   0.00  -0.00    -0.05  -0.00   0.04     0.19  -0.08  -0.16
    13   1     0.00   0.00  -0.00     0.03  -0.03   0.04    -0.13   0.08  -0.15
    14   1    -0.00   0.01  -0.00     0.04   0.01   0.02    -0.12  -0.15  -0.03
    15   1     0.01   0.01   0.00    -0.01  -0.06  -0.08     0.00   0.19   0.37
    16   1     0.01   0.01   0.00    -0.04   0.03  -0.08     0.11  -0.24   0.38
    17   1     0.00  -0.00   0.00    -0.01   0.04   0.01    -0.07  -0.10  -0.03
    18   1    -0.01  -0.01   0.01     0.03   0.06  -0.02    -0.05  -0.09  -0.01
    19   1    -0.02   0.01   0.01     0.03   0.01  -0.04    -0.04  -0.09   0.05
    20   1    -0.03   0.02   0.03     0.03  -0.04  -0.09     0.10  -0.02   0.07
    21   1    -0.02  -0.01   0.02     0.03   0.00  -0.06     0.08   0.06   0.03
    22   1    -0.01   0.02   0.01     0.00  -0.07  -0.04     0.08   0.08   0.02
    23   1    -0.01   0.09   0.02     0.02  -0.33  -0.07     0.11   0.05  -0.11
    24   1     0.03  -0.13  -0.06    -0.12   0.51   0.24     0.01   0.22  -0.07
    25   1     0.35  -0.32   0.31     0.03  -0.37   0.14     0.15  -0.10   0.12
    26   1    -0.09   0.54   0.21    -0.03   0.14  -0.03     0.01  -0.08   0.18
    27   1    -0.24  -0.15  -0.46    -0.06  -0.19  -0.41     0.19  -0.06   0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    221.1455               245.4155               262.9542
 Red. masses --      1.3354                 1.8317                 2.7569
 Frc consts  --      0.0385                 0.0650                 0.1123
 IR Inten    --      0.1455                 0.7524                 0.1632
 RamAct Fr= 1--      0.4037                 0.5281                 4.5527
  Dep-P Fr= 1--      0.5732                 0.7403                 0.1630
  Dep-U Fr= 1--      0.7287                 0.8508                 0.2802
 Alpha2 Fr= 1--      0.0013                 0.0001                 0.0681
 Beta2  Fr= 1--      0.0490                 0.0749                 0.2126
 AlphaG Fr= 1--     -0.0077                -0.0019                -0.0629
 Gamma2 Fr= 1--     -0.4827                 0.3647                 0.0890
 Delta2 Fr= 1--     -0.0668                 0.2928                -0.0579
 Raman1 Fr= 1--       1.615                  2.112                 18.211
 ROA1   Fr= 1--     -48.478                 44.379                  6.689
 CID1   Fr= 1--     -30.020                 21.010                  0.367
 Raman2 Fr= 1--       0.588                  0.898                  2.552
 ROA2   Fr= 1--     -11.051                  6.409                  2.598
 CID2   Fr= 1--     -18.782                  7.133                  1.018
 Raman3 Fr= 1--       1.177                  1.797                  5.103
 ROA3   Fr= 1--     -48.478                 44.379                  6.689
 CID3   Fr= 1--     -41.195                 24.696                  1.311
 RC180  Fr= 1--       0.457                  0.702                 -0.440
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01  -0.03    -0.11   0.07   0.08    -0.12   0.02   0.02
     2   6     0.01   0.02  -0.03     0.02  -0.01   0.07    -0.04   0.01   0.01
     3   6     0.00  -0.03  -0.02     0.01  -0.00   0.05    -0.03  -0.05  -0.01
     4   6     0.01  -0.05  -0.02     0.03  -0.03  -0.01     0.05  -0.13  -0.10
     5   6     0.01  -0.00   0.02    -0.00   0.01  -0.06     0.07  -0.00  -0.03
     6   6     0.02   0.00   0.01    -0.01   0.01  -0.05     0.10   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.01  -0.04     0.11   0.05  -0.01
     8   6    -0.10   0.02   0.03     0.09  -0.05  -0.03    -0.09  -0.00   0.01
     9   6    -0.01   0.04  -0.03     0.01  -0.01   0.06    -0.08   0.06   0.02
    10   6    -0.03   0.00   0.05     0.00  -0.00  -0.08    -0.13   0.01   0.02
    11   6     0.01   0.00  -0.00     0.05   0.00   0.03     0.18   0.01   0.06
    12   1     0.06   0.04  -0.07    -0.09   0.03   0.13    -0.09   0.08   0.03
    13   1    -0.07   0.09  -0.07     0.10  -0.07   0.12    -0.08   0.09   0.03
    14   1     0.00  -0.06  -0.03    -0.00   0.08   0.07    -0.08  -0.04  -0.01
    15   1    -0.06   0.07   0.10     0.01  -0.14  -0.17    -0.16   0.01   0.02
    16   1    -0.03  -0.07   0.10    -0.03   0.12  -0.18    -0.18  -0.01   0.03
    17   1    -0.05  -0.03  -0.03    -0.24   0.08   0.16     0.08   0.05   0.01
    18   1     0.14   0.12   0.00    -0.14   0.16  -0.06    -0.24  -0.21  -0.01
    19   1     0.16  -0.12  -0.06    -0.10   0.03   0.13    -0.29   0.21   0.08
    20   1    -0.38   0.26   0.41    -0.06   0.06   0.28    -0.03  -0.03  -0.20
    21   1    -0.39  -0.32  -0.24    -0.13  -0.16  -0.38     0.01   0.05   0.17
    22   1     0.31   0.11  -0.04     0.52  -0.07  -0.08    -0.33  -0.05   0.04
    23   1     0.01  -0.11  -0.04     0.09  -0.06  -0.03     0.09  -0.29  -0.16
    24   1     0.01   0.05   0.04    -0.04   0.04  -0.05     0.07   0.15   0.03
    25   1    -0.00  -0.00  -0.00     0.10   0.01   0.03     0.26   0.03   0.06
    26   1     0.01   0.00  -0.01     0.00  -0.03   0.09     0.11  -0.03   0.16
    27   1     0.00  -0.00  -0.00     0.09   0.01   0.03     0.24   0.03   0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    286.5650               319.1396               344.6984
 Red. masses --      1.1104                 2.3261                 2.5115
 Frc consts  --      0.0537                 0.1396                 0.1758
 IR Inten    --      0.0607                 1.0713                 2.2778
 RamAct Fr= 1--      0.5812                 1.8451                 0.2718
  Dep-P Fr= 1--      0.1937                 0.5112                 0.2986
  Dep-U Fr= 1--      0.3246                 0.6765                 0.4599
 Alpha2 Fr= 1--      0.0080                 0.0086                 0.0028
 Beta2  Fr= 1--      0.0314                 0.2080                 0.0208
 AlphaG Fr= 1--     -0.0049                 0.0464                -0.0123
 Gamma2 Fr= 1--      0.0072                 0.0503                -0.4815
 Delta2 Fr= 1--      0.0089                -0.0320                -0.1776
 Raman1 Fr= 1--       2.325                  7.380                  1.087
 ROA1   Fr= 1--       0.977                  3.804                -51.906
 CID1   Fr= 1--       0.420                  0.515                -47.739
 Raman2 Fr= 1--       0.377                  2.497                  0.250
 ROA2   Fr= 1--       0.102                  1.464                -10.135
 CID2   Fr= 1--       0.270                  0.586                -40.534
 Raman3 Fr= 1--       0.755                  4.993                  0.500
 ROA3   Fr= 1--       0.977                  3.804                -51.906
 CID3   Fr= 1--       1.295                  0.762               -103.796
 RC180  Fr= 1--      -0.351                  0.353                 -0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.03  -0.14  -0.04     0.12  -0.02   0.05
     2   6     0.03   0.01  -0.00    -0.04  -0.01  -0.04     0.00  -0.02   0.06
     3   6     0.02  -0.01   0.00    -0.06   0.01  -0.04     0.01  -0.02   0.13
     4   6     0.01  -0.03   0.00    -0.06   0.16   0.01     0.01   0.05   0.15
     5   6    -0.01  -0.00   0.00     0.01   0.03   0.02    -0.04   0.01  -0.00
     6   6    -0.03  -0.00   0.00     0.04   0.02   0.03    -0.01   0.04  -0.07
     7   8    -0.03  -0.01   0.01     0.09  -0.02   0.01    -0.05   0.00  -0.08
     8   6     0.01   0.01   0.01     0.07  -0.00  -0.07    -0.05  -0.10  -0.07
     9   6     0.03   0.01  -0.01    -0.09   0.00   0.11    -0.03   0.07  -0.11
    10   6     0.02   0.00   0.01    -0.09  -0.00   0.01    -0.08  -0.00  -0.05
    11   6    -0.04  -0.00  -0.02     0.05  -0.00   0.02     0.09   0.00   0.04
    12   1     0.04   0.02  -0.02    -0.26  -0.07   0.20     0.13   0.22  -0.17
    13   1     0.02   0.02  -0.02     0.06   0.04   0.27    -0.18   0.06  -0.26
    14   1     0.03  -0.01   0.00    -0.06  -0.05  -0.06     0.08  -0.01   0.14
    15   1     0.01   0.01   0.01    -0.04  -0.06  -0.04    -0.24  -0.11  -0.07
    16   1     0.02  -0.01   0.01    -0.17   0.04  -0.03    -0.03   0.09  -0.12
    17   1     0.54   0.10  -0.06     0.16  -0.19  -0.19     0.27  -0.02  -0.00
    18   1    -0.20  -0.50   0.06    -0.01  -0.32   0.06     0.17  -0.08   0.20
    19   1    -0.34   0.45  -0.01    -0.05  -0.08   0.02     0.12   0.02  -0.07
    20   1    -0.05   0.07   0.12     0.04  -0.00   0.13    -0.08  -0.03  -0.22
    21   1    -0.06  -0.07  -0.08    -0.03  -0.00  -0.30    -0.06  -0.09  -0.09
    22   1     0.14   0.04  -0.01     0.35   0.00  -0.11    -0.10  -0.27  -0.04
    23   1     0.01  -0.05  -0.01    -0.12   0.35   0.08     0.09   0.18   0.18
    24   1    -0.02   0.02   0.01     0.09  -0.14  -0.04    -0.14  -0.11  -0.04
    25   1    -0.07  -0.01  -0.02     0.05  -0.02   0.03     0.18   0.00   0.05
    26   1    -0.03   0.01  -0.04     0.04  -0.03   0.03     0.00  -0.07   0.16
    27   1    -0.07  -0.01  -0.02     0.09   0.00   0.00     0.20   0.02   0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    365.5603               412.3104               441.7611
 Red. masses --      2.3287                 2.6408                 2.2692
 Frc consts  --      0.1833                 0.2645                 0.2609
 IR Inten    --      0.1812                 1.8293                 0.4321
 RamAct Fr= 1--      1.4947                 2.3123                 0.3100
  Dep-P Fr= 1--      0.3759                 0.2366                 0.7498
  Dep-U Fr= 1--      0.5464                 0.3827                 0.8570
 Alpha2 Fr= 1--      0.0120                 0.0284                 0.0000
 Beta2  Fr= 1--      0.1361                 0.1475                 0.0443
 AlphaG Fr= 1--      0.0322                -0.0210                -0.0007
 Gamma2 Fr= 1--      0.1022                 0.4478                 0.3118
 Delta2 Fr= 1--      0.1222                 0.1032                 0.1512
 Raman1 Fr= 1--       5.979                  9.249                  1.240
 ROA1   Fr= 1--      13.722                 46.295                 34.775
 CID1   Fr= 1--       2.295                  5.005                 28.048
 Raman2 Fr= 1--       1.633                  1.770                  0.531
 ROA2   Fr= 1--       1.476                  9.922                  6.275
 CID2   Fr= 1--       0.904                  5.606                 11.811
 Raman3 Fr= 1--       3.267                  3.540                  1.063
 ROA3   Fr= 1--      13.722                 46.295                 34.775
 CID3   Fr= 1--       4.201                 13.078                 32.729
 RC180  Fr= 1--       0.093                 -0.235                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.16  -0.07    -0.04  -0.05  -0.13    -0.05   0.02  -0.00
     2   6    -0.06  -0.07  -0.03     0.05   0.05  -0.13     0.14  -0.02  -0.02
     3   6    -0.05  -0.07  -0.01     0.07  -0.04   0.04     0.07  -0.12  -0.03
     4   6    -0.05   0.06   0.03     0.02  -0.08   0.17     0.06   0.10  -0.01
     5   6    -0.02   0.01   0.01    -0.07  -0.03   0.05     0.06   0.06  -0.03
     6   6     0.01   0.03  -0.01    -0.03   0.03  -0.08     0.01   0.06   0.06
     7   8     0.05  -0.00  -0.03    -0.06   0.02  -0.08    -0.04  -0.06   0.03
     8   6     0.05   0.04   0.15    -0.05   0.13   0.02    -0.04  -0.04   0.05
     9   6    -0.05  -0.10  -0.06     0.04   0.00   0.09     0.04   0.10   0.02
    10   6    -0.03  -0.10  -0.04     0.03  -0.01   0.01    -0.09  -0.07  -0.03
    11   6     0.06  -0.00   0.03     0.06   0.00   0.02    -0.05  -0.00  -0.04
    12   1    -0.02  -0.09  -0.07    -0.18  -0.16   0.18     0.02   0.16   0.04
    13   1    -0.07  -0.13  -0.09     0.23   0.09   0.29     0.03   0.20   0.05
    14   1    -0.04  -0.08  -0.02     0.24  -0.13   0.03     0.05  -0.19  -0.05
    15   1    -0.06  -0.12  -0.05     0.04  -0.15  -0.08    -0.16  -0.18  -0.08
    16   1    -0.01  -0.07  -0.07    -0.03   0.09  -0.08    -0.22   0.01  -0.09
    17   1     0.15   0.30   0.15    -0.12  -0.12  -0.22    -0.18   0.04   0.09
    18   1     0.05   0.22  -0.08    -0.07  -0.08  -0.17    -0.15   0.05  -0.23
    19   1    -0.00   0.28  -0.31    -0.03  -0.11   0.02    -0.10   0.04   0.15
    20   1     0.10  -0.08   0.38    -0.07   0.15   0.05    -0.13   0.09  -0.05
    21   1     0.07   0.03   0.21    -0.02   0.02   0.20    -0.05  -0.22   0.22
    22   1     0.11   0.30   0.12    -0.17   0.30   0.02    -0.21  -0.02   0.07
    23   1    -0.07   0.18   0.07     0.04  -0.08   0.16     0.06   0.37   0.08
    24   1    -0.01  -0.10  -0.03    -0.24  -0.04   0.04     0.16  -0.18  -0.11
    25   1     0.10  -0.01   0.04     0.16   0.01   0.03    -0.23  -0.07  -0.02
    26   1     0.01  -0.06   0.09    -0.03  -0.06   0.16     0.05  -0.00  -0.19
    27   1     0.14   0.01   0.02     0.17   0.02   0.03    -0.06  -0.02  -0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    514.1255               585.6902               594.9856
 Red. masses --      2.8326                 2.5264                 2.9181
 Frc consts  --      0.4411                 0.5106                 0.6086
 IR Inten    --     13.2130                 1.8589                 7.3963
 RamAct Fr= 1--      1.2774                 1.9977                 4.1448
  Dep-P Fr= 1--      0.2340                 0.0402                 0.7362
  Dep-U Fr= 1--      0.3792                 0.0774                 0.8480
 Alpha2 Fr= 1--      0.0158                 0.0404                 0.0010
 Beta2  Fr= 1--      0.0807                 0.0258                 0.5858
 AlphaG Fr= 1--     -0.0161                -0.1418                -0.0108
 Gamma2 Fr= 1--     -0.5938                 0.1062                -0.5811
 Delta2 Fr= 1--     -0.1847                -0.2418                 0.1990
 Raman1 Fr= 1--       5.110                  7.991                 16.579
 ROA1   Fr= 1--     -62.915                  2.458                -49.418
 CID1   Fr= 1--     -12.313                  0.308                 -2.981
 Raman2 Fr= 1--       0.969                  0.309                  7.030
 ROA2   Fr= 1--     -12.773                  4.484                -15.539
 CID2   Fr= 1--     -13.185                 14.504                 -2.210
 Raman3 Fr= 1--       1.938                  0.618                 14.060
 ROA3   Fr= 1--     -62.915                  2.458                -49.418
 CID3   Fr= 1--     -32.471                  3.976                 -3.515
 RC180  Fr= 1--      -0.242                 -0.845                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.07     0.01   0.00   0.06    -0.01  -0.01  -0.06
     2   6    -0.13   0.00  -0.03    -0.06   0.06   0.03    -0.01  -0.08  -0.01
     3   6     0.02   0.00   0.16    -0.02  -0.02   0.03     0.04   0.08  -0.10
     4   6     0.16   0.01   0.01     0.02  -0.09  -0.04    -0.00  -0.05   0.06
     5   6     0.13   0.04  -0.06     0.02  -0.08  -0.04     0.03  -0.07   0.09
     6   6     0.09  -0.06   0.03    -0.04   0.25   0.10     0.05   0.11   0.03
     7   8    -0.12  -0.02   0.07     0.02  -0.08  -0.02    -0.13  -0.05  -0.01
     8   6    -0.01   0.06  -0.01    -0.03   0.11  -0.05     0.03  -0.15   0.06
     9   6    -0.11  -0.06  -0.01     0.01  -0.05  -0.01    -0.09   0.02   0.00
    10   6    -0.05  -0.01   0.00     0.03  -0.02  -0.01    -0.01   0.15   0.00
    11   6     0.00   0.03  -0.08    -0.01   0.02   0.01     0.11   0.06  -0.09
    12   1    -0.20  -0.13   0.03     0.03  -0.08  -0.03    -0.19   0.07   0.07
    13   1    -0.02  -0.08   0.06    -0.01  -0.10  -0.05     0.02  -0.03   0.09
    14   1     0.04  -0.03   0.15    -0.04  -0.02   0.03     0.12   0.18  -0.06
    15   1    -0.17  -0.19  -0.08     0.03  -0.08  -0.04     0.04   0.47   0.18
    16   1     0.03   0.15  -0.12     0.06   0.03  -0.05     0.03  -0.14   0.24
    17   1     0.12  -0.03  -0.14     0.04  -0.05  -0.05    -0.00   0.06   0.07
    18   1     0.12   0.00   0.14     0.06  -0.02   0.19    -0.03   0.04  -0.14
    19   1     0.09  -0.04  -0.24     0.05  -0.04   0.04    -0.03   0.05  -0.14
    20   1     0.06  -0.05   0.08     0.01   0.07  -0.06     0.06  -0.19   0.11
    21   1     0.02   0.15  -0.03    -0.02   0.18  -0.12     0.04  -0.14   0.07
    22   1     0.04   0.14  -0.03     0.02   0.06  -0.05     0.05  -0.10   0.06
    23   1     0.37  -0.09  -0.04     0.03   0.07   0.02    -0.15  -0.04   0.08
    24   1     0.15   0.17  -0.01     0.06  -0.24  -0.10    -0.05  -0.12   0.07
    25   1    -0.12   0.06  -0.12    -0.40  -0.30   0.17    -0.09  -0.07  -0.03
    26   1     0.15   0.20  -0.29     0.06  -0.28  -0.11     0.20  -0.01  -0.22
    27   1    -0.26  -0.00  -0.05     0.42  -0.01  -0.27     0.21   0.04  -0.20
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.6607               729.6673               800.7121
 Red. masses --      3.4855                 1.9784                 1.8776
 Frc consts  --      0.8168                 0.6206                 0.7092
 IR Inten    --      6.9052                 0.8473                 1.3251
 RamAct Fr= 1--     11.3868                 8.0071                17.3670
  Dep-P Fr= 1--      0.0426                 0.0179                 0.4028
  Dep-U Fr= 1--      0.0818                 0.0352                 0.5743
 Alpha2 Fr= 1--      0.2289                 0.1706                 0.1274
 Beta2  Fr= 1--      0.1552                 0.0470                 1.6623
 AlphaG Fr= 1--      0.1666                 0.0694                -0.0312
 Gamma2 Fr= 1--      0.9680                -0.3917                -1.1320
 Delta2 Fr= 1--     -0.3944                 0.4150                 0.2695
 Raman1 Fr= 1--      45.547                 32.028                 69.468
 ROA1   Fr= 1--      80.309                -24.322               -100.049
 CID1   Fr= 1--       1.763                 -0.759                 -1.440
 Raman2 Fr= 1--       1.863                  0.564                 19.947
 ROA2   Fr= 1--      26.388                -12.721                -29.325
 CID2   Fr= 1--      14.167                -22.538                 -1.470
 Raman3 Fr= 1--       3.725                  1.129                 39.894
 ROA3   Fr= 1--      80.309                -24.322               -100.049
 CID3   Fr= 1--      21.558                -21.546                 -2.508
 RC180  Fr= 1--      -0.836                 -0.930                  0.149
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.13     0.02   0.01   0.13     0.02   0.00  -0.00
     2   6     0.01   0.07   0.03    -0.00   0.01   0.00     0.12   0.01  -0.02
     3   6    -0.07  -0.06  -0.10     0.09  -0.09  -0.08    -0.10   0.01   0.13
     4   6    -0.11   0.01   0.01     0.07  -0.01   0.04    -0.07   0.02  -0.04
     5   6    -0.00  -0.00   0.14     0.02   0.06   0.02    -0.06  -0.03  -0.05
     6   6     0.11  -0.05   0.00    -0.01  -0.02  -0.03     0.00  -0.01   0.04
     7   8    -0.15  -0.02   0.04     0.01   0.01  -0.02     0.01  -0.01   0.04
     8   6    -0.02   0.13  -0.06    -0.02   0.09  -0.04     0.04   0.01  -0.01
     9   6     0.08  -0.04   0.01    -0.08  -0.07  -0.06    -0.03  -0.01  -0.09
    10   6    -0.00  -0.13  -0.01    -0.03   0.03  -0.06     0.04  -0.01  -0.03
    11   6     0.19   0.07  -0.14    -0.05  -0.03   0.03     0.06   0.03  -0.03
    12   1     0.24  -0.03  -0.09    -0.37  -0.02   0.12    -0.41   0.01   0.14
    13   1    -0.08  -0.02  -0.13     0.19  -0.27   0.12     0.32  -0.10   0.21
    14   1    -0.12  -0.09  -0.11     0.18  -0.04  -0.07    -0.21  -0.03   0.11
    15   1     0.10  -0.17  -0.06    -0.15   0.38   0.19    -0.25   0.10   0.12
    16   1    -0.12  -0.10  -0.05     0.09  -0.35   0.24     0.42  -0.09   0.04
    17   1    -0.01  -0.03   0.05     0.02   0.02   0.14    -0.02  -0.00   0.01
    18   1    -0.00  -0.03   0.14     0.02   0.01   0.14    -0.03  -0.02  -0.10
    19   1     0.01  -0.01   0.24     0.01   0.01   0.15    -0.01   0.01   0.11
    20   1    -0.04   0.15  -0.11    -0.03   0.11  -0.06    -0.13   0.22  -0.10
    21   1    -0.04   0.16  -0.13    -0.03   0.09  -0.06    -0.03  -0.25   0.12
    22   1     0.01   0.04  -0.06    -0.02   0.07  -0.04    -0.12  -0.02   0.02
    23   1    -0.32   0.02   0.03     0.06   0.16   0.10    -0.00  -0.07  -0.07
    24   1    -0.03  -0.06   0.11     0.03  -0.15  -0.05    -0.05   0.13   0.00
    25   1     0.21   0.15  -0.19     0.05   0.04  -0.01    -0.01  -0.01  -0.01
    26   1     0.27   0.23  -0.25    -0.09   0.02   0.08     0.11   0.03  -0.10
    27   1    -0.03   0.06  -0.06    -0.12  -0.02   0.09     0.07   0.02  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    853.6635               880.8793               904.7358
 Red. masses --      2.1341                 1.9150                 1.9728
 Frc consts  --      0.9163                 0.8755                 0.9515
 IR Inten    --      0.7985                 0.7217                 7.4362
 RamAct Fr= 1--      2.5741                 6.5633                17.6435
  Dep-P Fr= 1--      0.6373                 0.7243                 0.4674
  Dep-U Fr= 1--      0.7785                 0.8401                 0.6371
 Alpha2 Fr= 1--      0.0052                 0.0029                 0.1007
 Beta2  Fr= 1--      0.3340                 0.9190                 1.8733
 AlphaG Fr= 1--      0.0898                -0.0134                 0.0670
 Gamma2 Fr= 1--      1.1348                -0.7388                -1.8329
 Delta2 Fr= 1--     -0.9511                 1.0627                -0.9267
 Raman1 Fr= 1--      10.296                 26.253                 70.574
 ROA1   Fr= 1--      78.509                -36.921               -205.611
 CID1   Fr= 1--       7.625                 -1.406                 -2.913
 Raman2 Fr= 1--       4.008                 11.028                 22.480
 ROA2   Fr= 1--      34.845                -26.234                -36.575
 CID2   Fr= 1--       8.694                 -2.379                 -1.627
 Raman3 Fr= 1--       8.016                 22.056                 44.960
 ROA3   Fr= 1--      78.509                -36.921               -205.611
 CID3   Fr= 1--       9.794                 -1.674                 -4.573
 RC180  Fr= 1--       0.557                  0.680                  0.274
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.00   0.05    -0.05  -0.00  -0.03    -0.01  -0.00   0.08
     2   6     0.08  -0.03  -0.03    -0.10  -0.00   0.03    -0.04  -0.00  -0.05
     3   6     0.01   0.11  -0.03    -0.00  -0.01  -0.00     0.01  -0.04  -0.01
     4   6     0.03   0.12   0.06    -0.00   0.06   0.02    -0.01   0.03  -0.06
     5   6     0.08  -0.14  -0.00     0.02  -0.06  -0.01     0.12  -0.04   0.14
     6   6     0.01   0.02  -0.03     0.00  -0.00  -0.00    -0.01   0.01  -0.04
     7   8    -0.01   0.01  -0.04    -0.00   0.00  -0.00    -0.03   0.02  -0.06
     8   6     0.02   0.03  -0.03    -0.05  -0.02   0.02     0.00  -0.04   0.00
     9   6    -0.05  -0.08   0.00     0.16   0.12  -0.01    -0.05   0.08  -0.06
    10   6    -0.09  -0.08   0.01    -0.01  -0.12  -0.07     0.09   0.01   0.06
    11   6    -0.05   0.02   0.03    -0.01   0.01   0.01    -0.06  -0.00  -0.02
    12   1     0.06  -0.10  -0.07    -0.12   0.26   0.18    -0.26  -0.13   0.02
    13   1    -0.15  -0.02  -0.07     0.35   0.12   0.17     0.13   0.24   0.17
    14   1     0.07   0.11  -0.03    -0.02   0.08   0.02    -0.14  -0.31  -0.10
    15   1     0.01  -0.03   0.01    -0.18   0.16   0.16    -0.08  -0.28  -0.08
    16   1    -0.21  -0.12   0.04    -0.00  -0.40   0.16     0.27   0.30  -0.17
    17   1    -0.05   0.03   0.13     0.07  -0.01  -0.09     0.07   0.04   0.12
    18   1    -0.06  -0.01  -0.14     0.08   0.03   0.20     0.06   0.05   0.17
    19   1    -0.04   0.05   0.18     0.05  -0.05  -0.22     0.03   0.01  -0.08
    20   1    -0.06   0.13  -0.05     0.11  -0.22   0.09     0.01  -0.05   0.03
    21   1    -0.01  -0.08   0.04     0.02   0.23  -0.11     0.01  -0.05   0.04
    22   1    -0.05   0.06  -0.02     0.10  -0.02  -0.00    -0.02   0.01   0.00
    23   1     0.04  -0.30  -0.08     0.03  -0.11  -0.04    -0.21  -0.04  -0.07
    24   1    -0.05   0.62   0.27    -0.04   0.26   0.10     0.24   0.07   0.18
    25   1    -0.17  -0.12   0.11    -0.06  -0.04   0.04     0.10  -0.01   0.01
    26   1    -0.06  -0.12   0.03    -0.00  -0.04  -0.01    -0.20  -0.11   0.19
    27   1     0.13   0.00  -0.09     0.05   0.00  -0.04     0.12   0.03   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    915.7661               950.4378               958.9494
 Red. masses --      2.4832                 2.0266                 1.6126
 Frc consts  --      1.2269                 1.0786                 0.8737
 IR Inten    --      0.7214                20.6559                17.2748
 RamAct Fr= 1--     13.4938                 9.9956                14.0115
  Dep-P Fr= 1--      0.4446                 0.6213                 0.3693
  Dep-U Fr= 1--      0.6156                 0.7664                 0.5394
 Alpha2 Fr= 1--      0.0845                 0.0235                 0.1154
 Beta2  Fr= 1--      1.3844                 1.2768                 1.2596
 AlphaG Fr= 1--      0.3831                 0.0815                 0.3312
 Gamma2 Fr= 1--      1.4934                 2.0260                 2.5735
 Delta2 Fr= 1--      0.7702                -1.3080                 0.9091
 Raman1 Fr= 1--      53.975                 39.982                 56.046
 ROA1   Fr= 1--     168.013                152.644                276.145
 CID1   Fr= 1--       3.113                  3.818                  4.927
 Raman2 Fr= 1--      16.612                 15.321                 15.115
 ROA2   Fr= 1--      29.681                 59.089                 54.491
 CID2   Fr= 1--       1.787                  3.857                  3.605
 Raman3 Fr= 1--      33.225                 30.643                 30.230
 ROA3   Fr= 1--     168.013                152.644                276.145
 CID3   Fr= 1--       5.057                  4.981                  9.135
 RC180  Fr= 1--       0.231                  0.533                  0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.13    -0.01   0.06   0.00    -0.01   0.08   0.07
     2   6     0.06   0.04   0.08    -0.01   0.07  -0.01    -0.00   0.03  -0.08
     3   6    -0.08   0.08   0.07     0.04  -0.01   0.01    -0.04   0.07   0.00
     4   6     0.04  -0.05  -0.05    -0.02   0.02  -0.03     0.01  -0.03   0.01
     5   6     0.13   0.04   0.16     0.00  -0.02   0.01    -0.00   0.03   0.01
     6   6     0.02   0.03  -0.05    -0.06  -0.02   0.02     0.06   0.02  -0.02
     7   8    -0.04   0.02  -0.08     0.00  -0.01   0.03    -0.00   0.01  -0.04
     8   6     0.03   0.03   0.03     0.01  -0.07   0.01     0.02  -0.09  -0.04
     9   6     0.03  -0.05   0.01     0.14  -0.10  -0.05     0.00   0.01  -0.02
    10   6    -0.06  -0.07  -0.03    -0.13   0.11   0.05    -0.01  -0.06  -0.00
    11   6    -0.07  -0.03   0.00     0.00   0.03  -0.07    -0.00  -0.03   0.07
    12   1     0.04   0.14   0.04     0.05  -0.20  -0.01    -0.03  -0.12  -0.03
    13   1     0.02  -0.21  -0.05     0.27  -0.38  -0.04     0.01   0.19   0.05
    14   1    -0.27   0.29   0.12     0.03  -0.13  -0.03    -0.03   0.15   0.03
    15   1    -0.12   0.09   0.09    -0.33  -0.03   0.01     0.09  -0.01   0.00
    16   1     0.01  -0.21   0.08    -0.29   0.18  -0.00    -0.06  -0.09   0.02
    17   1    -0.05  -0.05  -0.22    -0.02  -0.10  -0.30     0.01  -0.11  -0.29
    18   1    -0.04  -0.05  -0.16     0.02  -0.08   0.19     0.04  -0.09   0.33
    19   1    -0.01  -0.03  -0.01     0.06  -0.08   0.18     0.08  -0.10   0.24
    20   1    -0.06   0.17  -0.13     0.04  -0.13   0.13     0.01  -0.13   0.23
    21   1    -0.04  -0.05  -0.04     0.05  -0.08   0.11     0.09  -0.26   0.27
    22   1    -0.01  -0.19   0.05     0.00   0.08  -0.00    -0.09   0.33  -0.07
    23   1    -0.11   0.07   0.00    -0.02   0.01  -0.03    -0.02  -0.04   0.01
    24   1     0.33  -0.39   0.01     0.09   0.11   0.05    -0.06  -0.22  -0.08
    25   1     0.09   0.02  -0.01     0.20   0.02  -0.04    -0.21  -0.01   0.03
    26   1    -0.19  -0.06   0.18    -0.13  -0.07   0.13     0.14   0.08  -0.13
    27   1    -0.03   0.00   0.08     0.21   0.07  -0.04    -0.24  -0.08   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    967.8161               970.5744              1004.6074
 Red. masses --      1.7959                 1.6004                 1.4682
 Frc consts  --      0.9911                 0.8882                 0.8730
 IR Inten    --     22.8571                 4.1254                 0.7502
 RamAct Fr= 1--     17.5361                11.4086                11.5353
  Dep-P Fr= 1--      0.2165                 0.3830                 0.3161
  Dep-U Fr= 1--      0.3560                 0.5539                 0.4804
 Alpha2 Fr= 1--      0.2278                 0.0897                 0.1127
 Beta2  Fr= 1--      1.0405                 1.0532                 0.9236
 AlphaG Fr= 1--     -0.7544                 0.2185                 0.2650
 Gamma2 Fr= 1--     -5.8273                 2.5596                 4.7453
 Delta2 Fr= 1--     -3.1859                 0.9744                 1.1702
 Raman1 Fr= 1--      70.144                 45.634                 46.141
 ROA1   Fr= 1--    -661.368                276.898                492.990
 CID1   Fr= 1--      -9.429                  6.068                 10.684
 Raman2 Fr= 1--      12.486                 12.638                 11.083
 ROA2   Fr= 1--    -114.368                 53.634                104.524
 CID2   Fr= 1--      -9.160                  4.244                  9.431
 Raman3 Fr= 1--      24.971                 25.276                 22.167
 ROA3   Fr= 1--    -661.368                276.898                492.990
 CID3   Fr= 1--     -26.485                 10.955                 22.240
 RC180  Fr= 1--      -0.288                  0.108                 -0.039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.05    -0.02  -0.08   0.04     0.08  -0.04   0.03
     2   6    -0.01   0.05   0.05     0.01  -0.04  -0.03     0.01  -0.08  -0.03
     3   6    -0.02  -0.10  -0.03     0.01   0.08   0.00    -0.03   0.03   0.05
     4   6    -0.03   0.03   0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.02
     5   6     0.01  -0.04   0.01    -0.02   0.02   0.00     0.01   0.01   0.02
     6   6     0.10   0.03  -0.04     0.04   0.02  -0.01     0.01   0.01  -0.01
     7   8    -0.01   0.02  -0.07    -0.00   0.01  -0.03    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.05     0.01   0.03   0.01    -0.09   0.01  -0.08
     9   6     0.01  -0.02   0.00     0.10  -0.02  -0.07     0.05   0.00   0.02
    10   6     0.02   0.09   0.01    -0.08   0.02   0.06    -0.02   0.04   0.00
    11   6    -0.01  -0.04   0.12     0.01  -0.02   0.06    -0.01  -0.00   0.01
    12   1     0.02   0.11   0.02    -0.09  -0.35  -0.02     0.08   0.26   0.06
    13   1     0.03  -0.31  -0.08     0.29   0.10   0.14     0.02  -0.11  -0.05
    14   1    -0.10  -0.31  -0.09    -0.03   0.06  -0.01    -0.06  -0.09   0.01
    15   1    -0.14  -0.01  -0.01    -0.13  -0.10  -0.01    -0.20   0.02   0.04
    16   1     0.12   0.16  -0.05    -0.26   0.13  -0.02     0.14   0.07  -0.02
    17   1    -0.07  -0.05  -0.18     0.10   0.15   0.41    -0.11   0.05   0.26
    18   1    -0.04  -0.06  -0.08     0.05   0.16  -0.05    -0.11  -0.02  -0.37
    19   1    -0.01  -0.01   0.13    -0.03   0.08  -0.34    -0.08   0.09   0.22
    20   1     0.03  -0.03  -0.05    -0.03   0.10  -0.13     0.14  -0.33   0.25
    21   1    -0.02   0.10  -0.10    -0.04   0.03  -0.09     0.08   0.25   0.02
    22   1     0.07  -0.20   0.06     0.01  -0.15   0.03     0.07   0.42  -0.15
    23   1    -0.13   0.04   0.02    -0.08  -0.04  -0.01    -0.01  -0.05  -0.03
    24   1    -0.18   0.24   0.11    -0.08  -0.19  -0.07     0.06  -0.12  -0.02
    25   1    -0.38  -0.06   0.08    -0.16  -0.01   0.02    -0.02  -0.00   0.01
    26   1     0.22   0.10  -0.22     0.13   0.08  -0.12    -0.00  -0.00   0.00
    27   1    -0.32  -0.12   0.03    -0.19  -0.06   0.03    -0.02  -0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1022.7939              1030.4061              1052.3867
 Red. masses --      1.5494                 1.4418                 1.6726
 Frc consts  --      0.9550                 0.9020                 1.0915
 IR Inten    --      6.6896                21.3076                 1.3480
 RamAct Fr= 1--      5.2127                 4.0341                 4.2506
  Dep-P Fr= 1--      0.2111                 0.7466                 0.6573
  Dep-U Fr= 1--      0.3486                 0.8549                 0.7932
 Alpha2 Fr= 1--      0.0687                 0.0002                 0.0070
 Beta2  Fr= 1--      0.3028                 0.5748                 0.5619
 AlphaG Fr= 1--     -0.4767                -0.0488                -0.2539
 Gamma2 Fr= 1--     -3.5345                -1.5034                -1.6236
 Delta2 Fr= 1--     -0.5466                -0.7887                -0.1132
 Raman1 Fr= 1--      20.851                 16.136                 17.002
 ROA1   Fr= 1--    -356.800               -169.564               -159.487
 CID1   Fr= 1--     -17.112                -10.508                 -9.380
 Raman2 Fr= 1--       3.634                  6.898                  6.743
 ROA2   Fr= 1--     -80.454                -29.772                -38.061
 CID2   Fr= 1--     -22.139                 -4.316                 -5.644
 Raman3 Fr= 1--       7.268                 13.796                 13.486
 ROA3   Fr= 1--    -356.800               -169.564               -159.487
 CID3   Fr= 1--     -49.092                -12.291                -11.826
 RC180  Fr= 1--      -0.303                  0.710                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.04  -0.01     0.03   0.01   0.00     0.01  -0.00   0.00
     2   6     0.00   0.07  -0.02     0.00   0.02  -0.02     0.00   0.00  -0.01
     3   6     0.03   0.07  -0.04    -0.00   0.07   0.00    -0.01   0.03   0.01
     4   6     0.01   0.01   0.03     0.02  -0.09  -0.02     0.02  -0.09  -0.03
     5   6    -0.02   0.04  -0.01     0.00  -0.04  -0.02    -0.01   0.05   0.02
     6   6    -0.01  -0.03   0.00    -0.02   0.09   0.04     0.03  -0.16  -0.06
     7   8     0.01  -0.00   0.02     0.00  -0.02  -0.00    -0.01   0.03   0.01
     8   6    -0.05  -0.03   0.09    -0.02  -0.02   0.02    -0.01  -0.00   0.00
     9   6    -0.05  -0.00  -0.06    -0.01  -0.00  -0.03     0.00  -0.00  -0.01
    10   6    -0.00  -0.08   0.03    -0.01  -0.04   0.01    -0.01  -0.01   0.00
    11   6     0.00   0.02  -0.00     0.01  -0.08  -0.03    -0.02   0.11   0.04
    12   1    -0.18  -0.13  -0.01    -0.07  -0.08  -0.01    -0.01  -0.04  -0.01
    13   1     0.05   0.12   0.08     0.03   0.11   0.05     0.01   0.05   0.02
    14   1     0.12  -0.08  -0.08     0.02   0.00  -0.02    -0.01   0.00  -0.00
    15   1    -0.08  -0.17  -0.00     0.00  -0.05   0.00     0.03   0.00  -0.00
    16   1     0.08   0.00  -0.04     0.03  -0.02  -0.01     0.01  -0.01  -0.00
    17   1    -0.14  -0.05  -0.11    -0.05  -0.01  -0.01    -0.01  -0.00   0.01
    18   1    -0.10  -0.09  -0.21    -0.03  -0.03  -0.08     0.00  -0.00  -0.01
    19   1    -0.03   0.03   0.37    -0.02   0.02   0.13    -0.00   0.01   0.01
    20   1     0.12  -0.20  -0.05     0.06  -0.10   0.01     0.01  -0.03   0.01
    21   1    -0.03   0.29  -0.23     0.00   0.11  -0.07     0.00   0.02  -0.01
    22   1     0.19  -0.35   0.09     0.07  -0.07   0.02     0.01   0.00  -0.00
    23   1     0.06  -0.29  -0.08    -0.08   0.60   0.22    -0.08   0.59   0.22
    24   1    -0.01  -0.29  -0.13    -0.09   0.43   0.15    -0.04   0.20   0.07
    25   1    -0.03  -0.04   0.03     0.23   0.18  -0.16    -0.30  -0.25   0.23
    26   1     0.01  -0.04  -0.01    -0.04   0.16   0.07     0.04  -0.24  -0.08
    27   1     0.09   0.02  -0.06    -0.22  -0.03   0.21     0.34   0.05  -0.30
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1097.4212              1155.8150              1183.5416
 Red. masses --      1.8682                 1.9414                 1.9104
 Frc consts  --      1.3256                 1.5281                 1.5767
 IR Inten    --     15.7117                18.9303                40.4280
 RamAct Fr= 1--     68.5891                49.6350                36.5539
  Dep-P Fr= 1--      0.2453                 0.3931                 0.3712
  Dep-U Fr= 1--      0.3940                 0.5644                 0.5415
 Alpha2 Fr= 1--      0.8236                 0.3767                 0.2992
 Beta2  Fr= 1--      4.5039                 4.6688                 3.2987
 AlphaG Fr= 1--     -0.2720                 0.0877                -0.0481
 Gamma2 Fr= 1--     -1.7518                 0.4727                 5.9277
 Delta2 Fr= 1--      4.6806                 0.3630                 2.1959
 Raman1 Fr= 1--     274.356                198.540                146.216
 ROA1   Fr= 1--     -18.392                 56.995                639.326
 CID1   Fr= 1--      -0.067                  0.287                  4.372
 Raman2 Fr= 1--      54.046                 56.026                 39.584
 ROA2   Fr= 1--     -79.488                  8.441                124.697
 CID2   Fr= 1--      -1.471                  0.151                  3.150
 Raman3 Fr= 1--     108.093                112.052                 79.169
 ROA3   Fr= 1--     -18.392                 56.995                639.326
 CID3   Fr= 1--      -0.170                  0.509                  8.075
 RC180  Fr= 1--      -0.212                  0.129                  0.083
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02     0.02   0.03  -0.03    -0.09   0.02   0.01
     2   6     0.02  -0.03   0.05     0.04  -0.04   0.06     0.20  -0.03  -0.03
     3   6     0.18   0.12  -0.04     0.14  -0.10   0.09    -0.02  -0.01   0.00
     4   6    -0.03  -0.01  -0.05    -0.09   0.04  -0.09     0.01   0.01   0.00
     5   6    -0.04   0.00  -0.00    -0.01  -0.03   0.04    -0.00   0.00  -0.01
     6   6    -0.03  -0.00   0.00    -0.06  -0.01  -0.01     0.08   0.01   0.00
     7   8     0.01   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.02
     8   6     0.02   0.02  -0.03    -0.05   0.02  -0.01    -0.09   0.01   0.02
     9   6    -0.05  -0.01   0.03    -0.04  -0.01  -0.04    -0.01  -0.08   0.02
    10   6    -0.01  -0.08   0.07     0.00   0.02   0.00    -0.08   0.04  -0.02
    11   6     0.03  -0.00   0.01     0.05  -0.00   0.03    -0.04   0.00  -0.02
    12   1    -0.05   0.44   0.11    -0.08  -0.27  -0.07     0.10  -0.02  -0.03
    13   1    -0.08  -0.24  -0.08     0.00   0.25   0.09    -0.12   0.32   0.06
    14   1     0.14  -0.02  -0.08     0.10   0.56   0.28    -0.15   0.00  -0.00
    15   1    -0.44  -0.30   0.05     0.13   0.03  -0.02     0.04   0.11  -0.01
    16   1     0.26   0.09  -0.07    -0.19  -0.03   0.05     0.39   0.07  -0.04
    17   1     0.06  -0.02  -0.11    -0.04  -0.04  -0.12     0.18  -0.01  -0.15
    18   1     0.05   0.01   0.17    -0.03  -0.07  -0.04     0.10   0.06   0.36
    19   1     0.04  -0.06  -0.15     0.02  -0.02   0.11     0.10  -0.13  -0.20
    20   1    -0.04   0.08   0.00     0.05  -0.10   0.04     0.11  -0.20  -0.01
    21   1     0.01  -0.07   0.06     0.01   0.20  -0.06     0.01   0.33  -0.14
    22   1    -0.06   0.11  -0.03     0.06   0.08  -0.03     0.19  -0.01  -0.01
    23   1    -0.32  -0.00  -0.04    -0.21   0.03  -0.09    -0.08  -0.04  -0.01
    24   1    -0.14  -0.05  -0.02     0.23   0.09   0.08    -0.23  -0.04  -0.03
    25   1    -0.05   0.01  -0.01    -0.10   0.02  -0.00     0.05  -0.03   0.02
    26   1     0.09   0.05  -0.08     0.17   0.07  -0.15    -0.13  -0.07   0.12
    27   1    -0.05  -0.02  -0.01    -0.07  -0.04  -0.04     0.04   0.03   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.3048              1217.0610              1232.2660
 Red. masses --      1.6011                 1.8362                 1.8176
 Frc consts  --      1.3276                 1.6025                 1.6262
 IR Inten    --     22.8343                 6.2425                29.9138
 RamAct Fr= 1--      6.4280                19.0584                 3.0552
  Dep-P Fr= 1--      0.7036                 0.3727                 0.7146
  Dep-U Fr= 1--      0.8260                 0.5430                 0.8336
 Alpha2 Fr= 1--      0.0052                 0.1552                 0.0019
 Beta2  Fr= 1--      0.8850                 1.7247                 0.4245
 AlphaG Fr= 1--      0.0078                -0.0398                 0.0021
 Gamma2 Fr= 1--     -4.4933                -3.8233                 0.4038
 Delta2 Fr= 1--     -2.0209                -3.3838                 0.4754
 Raman1 Fr= 1--      25.712                 76.234                 12.221
 ROA1   Fr= 1--    -496.029               -475.322                 53.982
 CID1   Fr= 1--     -19.292                 -6.235                  4.417
 Raman2 Fr= 1--      10.620                 20.697                  5.093
 ROA2   Fr= 1--     -91.672                -64.689                  5.889
 CID2   Fr= 1--      -8.632                 -3.126                  1.156
 Raman3 Fr= 1--      21.239                 41.393                 10.187
 ROA3   Fr= 1--    -496.029               -475.322                 53.982
 CID3   Fr= 1--     -23.354                -11.483                  5.299
 RC180  Fr= 1--       0.652                  0.086                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.03     0.05   0.01   0.01     0.03   0.04  -0.02
     2   6     0.02   0.03  -0.08    -0.13  -0.02  -0.04    -0.07  -0.10   0.05
     3   6    -0.03   0.04   0.03     0.07  -0.01   0.07    -0.03  -0.02  -0.10
     4   6    -0.03  -0.01  -0.01    -0.06   0.01  -0.06     0.08  -0.00   0.08
     5   6     0.00  -0.01   0.04    -0.00   0.00  -0.01     0.02   0.00  -0.01
     6   6    -0.14  -0.02  -0.00     0.11   0.02  -0.00    -0.11  -0.02  -0.00
     7   8     0.01   0.02  -0.04    -0.01  -0.01   0.01     0.02   0.00  -0.00
     8   6     0.00  -0.01   0.03     0.06   0.02   0.02     0.03   0.03  -0.01
     9   6     0.02  -0.04   0.06     0.05  -0.05   0.07     0.06  -0.07  -0.02
    10   6    -0.05   0.00  -0.05    -0.03   0.03  -0.08    -0.03   0.04   0.03
    11   6     0.07  -0.00   0.04    -0.04  -0.00  -0.02     0.03   0.00   0.01
    12   1     0.15   0.05  -0.00     0.21  -0.13  -0.04     0.02   0.10   0.04
    13   1    -0.12   0.11  -0.02    -0.16   0.47   0.06     0.02   0.50   0.15
    14   1     0.34  -0.33  -0.05     0.30  -0.08   0.06    -0.49   0.23  -0.06
    15   1    -0.02   0.14   0.03    -0.31   0.15   0.07    -0.19  -0.04   0.01
    16   1     0.28  -0.05  -0.00     0.28  -0.10   0.02     0.29   0.17  -0.07
    17   1     0.07   0.02   0.05    -0.11  -0.01   0.03    -0.10  -0.04  -0.13
    18   1     0.04   0.05   0.11    -0.04  -0.06  -0.10    -0.04  -0.11  -0.01
    19   1     0.01  -0.02  -0.08    -0.03   0.04   0.18     0.01  -0.02   0.17
    20   1     0.02  -0.02  -0.05    -0.06   0.16  -0.08    -0.08   0.17  -0.06
    21   1    -0.02   0.00  -0.03    -0.05  -0.16  -0.01    -0.02  -0.04  -0.03
    22   1     0.04  -0.13   0.04    -0.10  -0.13   0.06    -0.10   0.04   0.00
    23   1     0.24   0.02  -0.02    -0.24  -0.01  -0.06     0.10  -0.01   0.08
    24   1     0.55   0.04   0.06    -0.17  -0.02  -0.02     0.00   0.02   0.01
    25   1    -0.09   0.06  -0.03     0.03  -0.05   0.03    -0.01   0.05  -0.03
    26   1     0.24   0.12  -0.22    -0.15  -0.08   0.14     0.13   0.06  -0.12
    27   1    -0.08  -0.05  -0.06     0.02   0.03   0.05     0.00  -0.02  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1246.9559              1263.0307              1280.1866
 Red. masses --      1.6031                 1.4515                 1.8590
 Frc consts  --      1.4686                 1.3642                 1.7950
 IR Inten    --     13.5092                 4.4036                 6.8116
 RamAct Fr= 1--     30.1433                22.0379                 9.1087
  Dep-P Fr= 1--      0.3277                 0.3514                 0.4158
  Dep-U Fr= 1--      0.4936                 0.5200                 0.5873
 Alpha2 Fr= 1--      0.2841                 0.1926                 0.0637
 Beta2  Fr= 1--      2.4800                 1.9100                 0.8916
 AlphaG Fr= 1--      0.0053                 0.1231                 0.1498
 Gamma2 Fr= 1--     -2.2648                 1.1246                 4.6861
 Delta2 Fr= 1--     -3.8370                 1.9994                 2.7242
 Raman1 Fr= 1--     120.573                 88.152                 36.435
 ROA1   Fr= 1--    -340.210                171.939                537.043
 CID1   Fr= 1--      -2.822                  1.950                 14.740
 Raman2 Fr= 1--      29.760                 22.920                 10.700
 ROA2   Fr= 1--     -23.660                 10.994                 90.674
 CID2   Fr= 1--      -0.795                  0.480                  8.474
 Raman3 Fr= 1--      59.520                 45.841                 21.400
 ROA3   Fr= 1--    -340.210                171.939                537.043
 CID3   Fr= 1--      -5.716                  3.751                 25.096
 RC180  Fr= 1--      -0.013                  0.040                  0.175
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.01  -0.00  -0.01     0.00  -0.06  -0.03
     2   6    -0.00   0.15   0.06    -0.04   0.00   0.04     0.01   0.16   0.13
     3   6     0.02  -0.04  -0.05     0.01  -0.02  -0.02     0.02   0.02   0.03
     4   6     0.02   0.01   0.02    -0.05   0.00  -0.01     0.02   0.01  -0.01
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     6   6    -0.03  -0.01  -0.00     0.06   0.01  -0.00    -0.03  -0.01   0.00
     7   8     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01   0.00   0.00
     8   6    -0.00  -0.05  -0.03     0.02  -0.00  -0.01    -0.01  -0.05  -0.05
     9   6     0.00   0.06   0.04     0.04  -0.02  -0.07    -0.01  -0.13  -0.05
    10   6    -0.08  -0.04  -0.02    -0.12  -0.02   0.08     0.02   0.02  -0.04
    11   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.01   0.00   0.00
    12   1     0.09  -0.53  -0.12    -0.14   0.34   0.11    -0.12   0.25   0.07
    13   1    -0.05  -0.14  -0.07     0.16   0.01   0.05    -0.08   0.52   0.13
    14   1    -0.09   0.28   0.03     0.33   0.07   0.03    -0.08  -0.43  -0.10
    15   1    -0.09  -0.00   0.01     0.66   0.02  -0.11     0.11   0.05  -0.04
    16   1     0.58   0.01  -0.06     0.34   0.18  -0.08    -0.28  -0.13   0.08
    17   1     0.01   0.04   0.16    -0.04  -0.01  -0.00     0.02   0.03   0.10
    18   1     0.01   0.10  -0.16    -0.02  -0.01  -0.06     0.02   0.11  -0.13
    19   1    -0.08   0.09  -0.14    -0.01   0.02   0.02    -0.08   0.08  -0.15
    20   1     0.01  -0.10   0.17    -0.04   0.06   0.02    -0.02  -0.07   0.17
    21   1     0.07  -0.06   0.13     0.01  -0.05   0.04     0.10  -0.01   0.16
    22   1    -0.02   0.11  -0.04    -0.05   0.04  -0.01    -0.00   0.16  -0.06
    23   1    -0.04  -0.02   0.02     0.16   0.02  -0.01    -0.16  -0.05  -0.02
    24   1    -0.07   0.02  -0.00     0.11   0.02  -0.00    -0.15  -0.03  -0.00
    25   1    -0.00   0.01  -0.01    -0.00  -0.03   0.02     0.00   0.02  -0.01
    26   1     0.03   0.01  -0.03    -0.07  -0.03   0.06     0.03   0.02  -0.03
    27   1     0.01  -0.00  -0.02    -0.01   0.01   0.04     0.01  -0.01  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1295.3859              1316.9764              1338.6069
 Red. masses --      1.4622                 1.7636                 1.4606
 Frc consts  --      1.4456                 1.8023                 1.5420
 IR Inten    --     33.2296                15.7749                 0.0446
 RamAct Fr= 1--      7.9845                 5.2928                34.8177
  Dep-P Fr= 1--      0.4281                 0.2814                 0.2979
  Dep-U Fr= 1--      0.5996                 0.4391                 0.4591
 Alpha2 Fr= 1--      0.0533                 0.0574                 0.3593
 Beta2  Fr= 1--      0.7979                 0.3874                 2.6642
 AlphaG Fr= 1--      0.0231                -0.0308                 0.0366
 Gamma2 Fr= 1--     -2.7385                 1.1545                -0.5756
 Delta2 Fr= 1--     -2.9344                 0.9435                 0.6240
 Raman1 Fr= 1--      31.938                 21.171                139.271
 ROA1   Fr= 1--    -356.797                141.026                -35.288
 CID1   Fr= 1--     -11.172                  6.661                 -0.253
 Raman2 Fr= 1--       9.575                  4.649                 31.970
 ROA2   Fr= 1--     -42.249                 20.160                -18.805
 CID2   Fr= 1--      -4.413                  4.337                 -0.588
 Raman3 Fr= 1--      19.149                  9.297                 63.940
 ROA3   Fr= 1--    -356.797                141.026                -35.288
 CID3   Fr= 1--     -18.632                 15.168                 -0.552
 RC180  Fr= 1--       0.199                 -0.122                 -0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.01   0.04  -0.03     0.00  -0.01   0.01
     2   6    -0.02  -0.06  -0.02     0.03  -0.11   0.18    -0.02   0.02  -0.04
     3   6     0.04   0.03   0.08     0.00   0.07  -0.03     0.04  -0.00   0.01
     4   6     0.06   0.01  -0.02    -0.04  -0.00  -0.01     0.02   0.05  -0.12
     5   6     0.05   0.01  -0.00    -0.04  -0.01   0.03    -0.01  -0.05   0.13
     6   6    -0.09  -0.01   0.00     0.05   0.01  -0.00    -0.04  -0.01  -0.00
     7   8     0.01   0.00   0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01    -0.00   0.02  -0.05     0.00  -0.00   0.01
     9   6     0.01   0.06   0.00    -0.01   0.06  -0.01     0.00  -0.01   0.01
    10   6    -0.08  -0.01  -0.03    -0.00  -0.01  -0.03    -0.01  -0.00  -0.00
    11   6     0.02  -0.00   0.01    -0.00   0.00  -0.01     0.02   0.00   0.01
    12   1     0.00  -0.16  -0.03     0.01  -0.51  -0.13     0.00   0.07   0.02
    13   1     0.05  -0.18  -0.05     0.06   0.06   0.05    -0.03  -0.02  -0.02
    14   1    -0.25  -0.39  -0.06     0.12  -0.48  -0.17    -0.12   0.06   0.01
    15   1     0.49   0.18  -0.06    -0.06   0.06   0.02     0.03   0.02  -0.00
    16   1     0.09  -0.06   0.00     0.02  -0.04  -0.00     0.01  -0.00  -0.01
    17   1    -0.05  -0.02  -0.05    -0.03  -0.08  -0.24     0.02   0.01   0.03
    18   1    -0.02  -0.07   0.02    -0.08  -0.09  -0.08     0.00   0.04  -0.02
    19   1     0.02  -0.02   0.06     0.08  -0.06  -0.07    -0.01   0.01   0.02
    20   1     0.00   0.03  -0.04    -0.07   0.08   0.05     0.02  -0.02  -0.01
    21   1    -0.03  -0.01  -0.03     0.05   0.07   0.03    -0.02  -0.03  -0.02
    22   1    -0.01  -0.04   0.01    -0.05   0.18  -0.05    -0.00  -0.04   0.02
    23   1    -0.48  -0.10  -0.02     0.42   0.04  -0.03     0.66   0.16  -0.13
    24   1    -0.31  -0.07  -0.02     0.10  -0.02   0.02    -0.64  -0.15   0.11
    25   1     0.02   0.06  -0.04    -0.02  -0.04   0.02    -0.02   0.03  -0.02
    26   1     0.08   0.05  -0.09    -0.05  -0.02   0.05     0.03   0.01  -0.01
    27   1     0.03  -0.02  -0.06    -0.03   0.01   0.04    -0.01  -0.02  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1381.8526              1398.8494              1406.0830
 Red. masses --      1.2815                 1.5329                 1.3440
 Frc consts  --      1.4418                 1.7673                 1.5656
 IR Inten    --     15.9120                65.5414                18.5826
 RamAct Fr= 1--      1.6052                 5.1604                 0.9267
  Dep-P Fr= 1--      0.7157                 0.1185                 0.1198
  Dep-U Fr= 1--      0.8343                 0.2119                 0.2139
 Alpha2 Fr= 1--      0.0010                 0.0863                 0.0155
 Beta2  Fr= 1--      0.2232                 0.1823                 0.0330
 AlphaG Fr= 1--      0.0019                 0.0452                -0.0077
 Gamma2 Fr= 1--     -0.5946                 0.4728                 0.1594
 Delta2 Fr= 1--     -0.4445                 0.1372                -0.0583
 Raman1 Fr= 1--       6.421                 20.642                  3.707
 ROA1   Fr= 1--     -71.310                 49.779                 13.435
 CID1   Fr= 1--     -11.106                  2.412                  3.624
 Raman2 Fr= 1--       2.678                  2.187                  0.397
 ROA2   Fr= 1--     -10.715                 10.249                  4.292
 CID2   Fr= 1--      -4.001                  4.686                 10.825
 Raman3 Fr= 1--       5.357                  4.375                  0.793
 ROA3   Fr= 1--     -71.310                 49.779                 13.435
 CID3   Fr= 1--     -13.313                 11.379                 16.942
 RC180  Fr= 1--       0.669                 -0.576                 -0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.00   0.01   0.03     0.01   0.00   0.08
     2   6     0.01  -0.01   0.02     0.01  -0.02   0.03    -0.01   0.03  -0.05
     3   6    -0.06  -0.01  -0.01    -0.13  -0.02  -0.01     0.05   0.00   0.01
     4   6     0.00   0.00  -0.01     0.05   0.01  -0.02    -0.01  -0.00   0.01
     5   6     0.03   0.01   0.00     0.09   0.01   0.00    -0.03  -0.00  -0.00
     6   6     0.02   0.01  -0.01    -0.09  -0.02  -0.00     0.02   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.03   0.01     0.02  -0.11   0.06
     9   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6     0.01   0.00   0.01     0.02   0.01   0.02    -0.01   0.00  -0.01
    11   6    -0.10  -0.04   0.08     0.07   0.02  -0.03    -0.02  -0.00   0.01
    12   1     0.02  -0.01  -0.02     0.05   0.00  -0.03    -0.01   0.05   0.02
    13   1     0.04   0.01   0.03     0.08   0.01   0.06    -0.04  -0.03  -0.04
    14   1     0.32   0.04   0.03     0.63   0.10   0.06    -0.25   0.00  -0.00
    15   1    -0.07  -0.02   0.02    -0.11  -0.03   0.03     0.05  -0.01  -0.03
    16   1     0.00   0.03  -0.01     0.00   0.06  -0.02     0.01  -0.05   0.03
    17   1     0.01  -0.02  -0.05     0.02  -0.08  -0.16    -0.01  -0.16  -0.23
    18   1    -0.03  -0.01  -0.03    -0.09  -0.02  -0.14    -0.13   0.04  -0.27
    19   1     0.03  -0.02  -0.05     0.07  -0.02  -0.17     0.04   0.07  -0.29
    20   1    -0.02   0.03  -0.00    -0.11   0.13  -0.06    -0.25   0.30  -0.24
    21   1     0.02   0.03   0.00     0.05   0.15  -0.06     0.07   0.35  -0.30
    22   1     0.00   0.03  -0.01    -0.01   0.15  -0.01    -0.07   0.42  -0.00
    23   1    -0.04   0.00  -0.01    -0.22  -0.02  -0.02     0.03   0.01   0.01
    24   1    -0.16  -0.02  -0.01    -0.36  -0.06  -0.01     0.12   0.02   0.00
    25   1     0.37   0.38  -0.17    -0.20  -0.14   0.05     0.04   0.02  -0.01
    26   1     0.20   0.16  -0.36    -0.06  -0.06   0.15     0.01   0.01  -0.03
    27   1     0.45  -0.07  -0.32    -0.22   0.01   0.10     0.05  -0.00  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.5777              1464.8602              1474.3214
 Red. masses --      1.2288                 1.0592                 1.0480
 Frc consts  --      1.4652                 1.3391                 1.3421
 IR Inten    --      3.5633                15.0211                 9.1616
 RamAct Fr= 1--      1.6101                 7.9889                 6.3878
  Dep-P Fr= 1--      0.7379                 0.4236                 0.7485
  Dep-U Fr= 1--      0.8492                 0.5951                 0.8562
 Alpha2 Fr= 1--      0.0003                 0.0543                 0.0002
 Beta2  Fr= 1--      0.2279                 0.7924                 0.9115
 AlphaG Fr= 1--     -0.0000                 0.0162                 0.0040
 Gamma2 Fr= 1--      0.1903                 0.4740                -0.0305
 Delta2 Fr= 1--      0.0228                 0.1810                 0.0149
 Raman1 Fr= 1--       6.441                 31.956                 25.551
 ROA1   Fr= 1--      19.003                 51.298                 -2.454
 CID1   Fr= 1--       2.951                  1.605                 -0.096
 Raman2 Fr= 1--       2.735                  9.508                 10.938
 ROA2   Fr= 1--       4.385                  9.929                 -0.851
 CID2   Fr= 1--       1.604                  1.044                 -0.078
 Raman3 Fr= 1--       5.469                 19.017                 21.876
 ROA3   Fr= 1--      19.003                 51.298                 -2.454
 CID3   Fr= 1--       3.474                  2.697                 -0.112
 RC180  Fr= 1--       0.698                  0.190                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.11    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.01     0.01   0.00  -0.01     0.00  -0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.01  -0.01   0.02     0.00  -0.02  -0.01
     7   8     0.00  -0.00   0.00     0.00   0.01  -0.02    -0.00   0.00   0.00
     8   6     0.02  -0.07   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00   0.00    -0.05   0.00  -0.03     0.01  -0.05  -0.02
    12   1     0.06  -0.04  -0.04     0.01   0.00  -0.00     0.00   0.00  -0.00
    13   1     0.05  -0.03   0.04     0.01  -0.00   0.01     0.00   0.00   0.00
    14   1     0.07  -0.04  -0.00     0.02   0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.03   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.03  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.01   0.23   0.38     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.23   0.02   0.40    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.14  -0.04   0.45     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.21   0.24  -0.12    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    21   1     0.09   0.28  -0.17     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.04   0.30  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.01  -0.00  -0.01     0.00   0.00  -0.01    -0.00   0.01   0.00
    24   1    -0.03  -0.01   0.00    -0.05  -0.01   0.01     0.00  -0.01  -0.00
    25   1    -0.00   0.00  -0.00     0.28  -0.45   0.33    -0.47   0.02  -0.11
    26   1     0.00  -0.00   0.00     0.21   0.17  -0.37    -0.12   0.68   0.24
    27   1    -0.00  -0.00  -0.00     0.17   0.21   0.57     0.45   0.09   0.15
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.3164              1486.5986              1492.6731
 Red. masses --      1.0697                 1.0460                 1.0651
 Frc consts  --      1.3867                 1.3620                 1.3982
 IR Inten    --      1.0288                 0.3068                 8.2866
 RamAct Fr= 1--      8.2289                 9.6312                11.7527
  Dep-P Fr= 1--      0.6939                 0.7312                 0.7061
  Dep-U Fr= 1--      0.8193                 0.8447                 0.8277
 Alpha2 Fr= 1--      0.0081                 0.0031                 0.0090
 Beta2  Fr= 1--      1.1237                 1.3560                 1.6214
 AlphaG Fr= 1--      0.0082                 0.0066                -0.0434
 Gamma2 Fr= 1--      1.7683                -2.2350                -1.7817
 Delta2 Fr= 1--      0.2512                -1.2074                 0.5069
 Raman1 Fr= 1--      32.916                 38.525                 47.011
 ROA1   Fr= 1--     177.796               -253.194               -154.825
 CID1   Fr= 1--       5.402                 -6.572                 -3.293
 Raman2 Fr= 1--      13.484                 16.272                 19.456
 ROA2   Fr= 1--      40.430                -43.980                -46.817
 CID2   Fr= 1--       2.998                 -2.703                 -2.406
 Raman3 Fr= 1--      26.968                 32.543                 38.913
 ROA3   Fr= 1--     177.796               -253.194               -154.825
 CID3   Fr= 1--       6.593                 -7.780                 -3.979
 RC180  Fr= 1--       0.639                  0.689                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.04  -0.00  -0.00     0.00  -0.02  -0.00
     2   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.01   0.00   0.03
     3   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.02   0.02    -0.04  -0.00   0.01     0.01   0.01   0.03
     9   6    -0.05   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00  -0.00
    10   6    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.01  -0.04   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1     0.36   0.08  -0.21     0.08   0.01  -0.04    -0.17  -0.07   0.09
    13   1     0.30  -0.03   0.29     0.06  -0.01   0.06    -0.14   0.04  -0.12
    14   1     0.01  -0.02  -0.01     0.01   0.00  -0.01     0.04  -0.02  -0.00
    15   1     0.03  -0.30  -0.21    -0.01  -0.08  -0.05    -0.03   0.30   0.21
    16   1     0.08  -0.26   0.22     0.03  -0.06   0.06    -0.09   0.26  -0.23
    17   1     0.15  -0.06  -0.14    -0.41  -0.08   0.01    -0.01  -0.07  -0.12
    18   1     0.11   0.28  -0.05     0.05  -0.14   0.20     0.11   0.18   0.03
    19   1    -0.13   0.10   0.13    -0.13   0.24  -0.17    -0.15   0.16   0.04
    20   1     0.17  -0.15  -0.10     0.03   0.04  -0.43     0.26  -0.22  -0.29
    21   1    -0.18  -0.18  -0.20     0.06  -0.12   0.31    -0.27  -0.28  -0.26
    22   1    -0.13   0.15   0.01     0.54   0.13  -0.08    -0.08   0.31  -0.00
    23   1    -0.00  -0.00  -0.00     0.02   0.00  -0.00    -0.01  -0.01   0.00
    24   1     0.00   0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.00
    25   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.6894              1506.1397              1509.9659
 Red. masses --      1.1098                 1.0614                 1.0623
 Frc consts  --      1.4765                 1.4186                 1.4270
 IR Inten    --      3.0385                 7.3991                 5.0762
 RamAct Fr= 1--      6.6517                 5.0562                 2.2602
  Dep-P Fr= 1--      0.5444                 0.7492                 0.5922
  Dep-U Fr= 1--      0.7050                 0.8566                 0.7439
 Alpha2 Fr= 1--      0.0262                 0.0001                 0.0066
 Beta2  Fr= 1--      0.7815                 0.7219                 0.2802
 AlphaG Fr= 1--      0.0078                 0.0015                -0.0009
 Gamma2 Fr= 1--     -0.1814                 0.6125                 0.1062
 Delta2 Fr= 1--     -0.1768                -0.9439                 0.3615
 Raman1 Fr= 1--      26.607                 20.225                  9.041
 ROA1   Fr= 1--     -23.076                 28.597                 21.764
 CID1   Fr= 1--      -0.867                  1.414                  2.407
 Raman2 Fr= 1--       9.378                  8.663                  3.363
 ROA2   Fr= 1--      -2.939                 22.251                 -0.344
 CID2   Fr= 1--      -0.313                  2.569                 -0.102
 Raman3 Fr= 1--      18.757                 17.325                  6.725
 ROA3   Fr= 1--     -23.076                 28.597                 21.764
 CID3   Fr= 1--      -1.230                  1.651                  3.236
 RC180  Fr= 1--       0.410                  0.713                  0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00    -0.00  -0.03   0.02    -0.04  -0.00  -0.00
     2   6    -0.02   0.04   0.00    -0.01  -0.03  -0.01    -0.03  -0.01   0.01
     3   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.01    -0.01  -0.00  -0.02    -0.02  -0.00   0.01
     9   6    -0.06  -0.01  -0.00    -0.02   0.00   0.00     0.04   0.01   0.00
    10   6     0.01  -0.05  -0.01     0.00  -0.03  -0.00    -0.00   0.02   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1     0.37   0.11  -0.21     0.13   0.03  -0.07    -0.19  -0.06   0.11
    13   1     0.29  -0.03   0.30     0.11  -0.02   0.10    -0.15   0.03  -0.16
    14   1    -0.08   0.00  -0.00    -0.04   0.01  -0.00     0.01   0.00   0.00
    15   1    -0.01   0.30   0.20    -0.01   0.23   0.15     0.01  -0.12  -0.08
    16   1    -0.07   0.24  -0.23    -0.06   0.19  -0.17     0.04  -0.10   0.09
    17   1     0.15   0.12   0.15     0.15  -0.15  -0.30     0.50   0.10  -0.02
    18   1    -0.18  -0.21  -0.15     0.18   0.46  -0.06    -0.05   0.20  -0.25
    19   1     0.26  -0.30  -0.04    -0.25   0.24   0.16     0.13  -0.28   0.26
    20   1     0.05  -0.03  -0.15    -0.17   0.16   0.12     0.01   0.04  -0.33
    21   1    -0.03  -0.09   0.05     0.19   0.16   0.26     0.03  -0.10   0.21
    22   1     0.13   0.08  -0.02     0.17  -0.22  -0.01     0.37   0.12  -0.06
    23   1     0.00   0.00   0.01    -0.01  -0.01   0.00    -0.01   0.00   0.01
    24   1     0.02   0.01   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1673.1414              1762.0774              3017.6675
 Red. masses --      6.5805                 8.5244                 1.0347
 Frc consts  --     10.8537                15.5942                 5.5513
 IR Inten    --    238.3854               113.5633                24.8922
 RamAct Fr= 1--    750.3941                26.2091               101.2058
  Dep-P Fr= 1--      0.2694                 0.7061                 0.0321
  Dep-U Fr= 1--      0.4244                 0.8278                 0.0622
 Alpha2 Fr= 1--      8.4181                 0.0200                 2.0859
 Beta2  Fr= 1--     53.0825                 3.6158                 1.0484
 AlphaG Fr= 1--     -1.4613                 0.0724                -0.1661
 Gamma2 Fr= 1--    -16.4039                 1.6513                -0.7025
 Delta2 Fr= 1--      2.8399                -0.1891                -1.5515
 Raman1 Fr= 1--    3001.576                104.836                404.823
 ROA1   Fr= 1--   -1483.895                152.471               -117.087
 CID1   Fr= 1--      -0.494                  1.454                 -0.289
 Raman2 Fr= 1--     636.990                 43.390                 12.580
 ROA2   Fr= 1--    -416.412                 41.143                 -4.448
 CID2   Fr= 1--      -0.654                  0.948                 -0.354
 Raman3 Fr= 1--    1273.981                 86.780                 25.161
 ROA3   Fr= 1--   -1483.895                152.471               -117.087
 CID3   Fr= 1--      -1.165                  1.757                 -4.654
 RC180  Fr= 1--      -0.151                  0.656                 -0.876
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     2   6    -0.02   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.08  -0.02  -0.01     0.04   0.01  -0.00    -0.00  -0.00   0.00
     4   6     0.43   0.12  -0.12    -0.21  -0.06   0.07    -0.00   0.00   0.00
     5   6    -0.40  -0.11   0.10     0.21   0.07  -0.11    -0.00  -0.00   0.00
     6   6     0.09  -0.07   0.24     0.02  -0.20   0.57     0.00  -0.00   0.00
     7   8    -0.03   0.05  -0.16    -0.03   0.12  -0.36    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.04  -0.01
     9   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01     0.00   0.01  -0.04    -0.00  -0.00  -0.00
    12   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.02   0.01  -0.03
    13   1     0.01   0.01   0.00     0.00  -0.00   0.01    -0.02  -0.01   0.02
    14   1     0.23   0.04   0.01    -0.10  -0.01  -0.02     0.00   0.01  -0.05
    15   1     0.01   0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.04   0.04  -0.03    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    17   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.02  -0.09   0.04
    18   1    -0.01   0.00  -0.03     0.00  -0.00   0.00    -0.11   0.05   0.05
    19   1     0.01  -0.01   0.01     0.00  -0.00   0.00     0.09   0.08   0.02
    20   1     0.01   0.00  -0.01    -0.00   0.00   0.00    -0.45  -0.36  -0.09
    21   1    -0.01  -0.03   0.01     0.00   0.00   0.00     0.49  -0.23  -0.23
    22   1    -0.00   0.02  -0.00     0.00  -0.00  -0.00     0.06   0.07   0.50
    23   1    -0.49  -0.03  -0.13     0.24   0.00   0.10    -0.00  -0.00  -0.00
    24   1     0.34  -0.00   0.17    -0.39  -0.01  -0.15     0.00   0.00  -0.00
    25   1     0.03   0.08  -0.05     0.04   0.13  -0.10    -0.00   0.00   0.00
    26   1    -0.06  -0.04   0.09    -0.13  -0.09   0.18     0.00  -0.00   0.00
    27   1     0.04  -0.02  -0.09     0.07  -0.02  -0.16    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.5202              3029.5725              3045.8029
 Red. masses --      1.0355                 1.0378                 1.0808
 Frc consts  --      5.5959                 5.6123                 5.9072
 IR Inten    --     24.5093                 3.0158                12.6816
 RamAct Fr= 1--    185.2926               206.4172                38.4312
  Dep-P Fr= 1--      0.0308                 0.0128                 0.3851
  Dep-U Fr= 1--      0.0598                 0.0253                 0.5561
 Alpha2 Fr= 1--      3.8303                 4.4519                 0.3000
 Beta2  Fr= 1--      1.8469                 0.8689                 3.5619
 AlphaG Fr= 1--     -0.4392                 0.4080                -0.0608
 Gamma2 Fr= 1--      2.5624                 0.2475                -4.7040
 Delta2 Fr= 1--      0.7738                -1.3508                -6.8576
 Raman1 Fr= 1--     741.170                825.669                153.725
 ROA1   Fr= 1--     270.751                -19.461               -671.032
 CID1   Fr= 1--       0.365                 -0.024                 -4.365
 Raman2 Fr= 1--      22.162                 10.427                 42.743
 ROA2   Fr= 1--      55.308                 16.748                -58.036
 CID2   Fr= 1--       2.496                  1.606                 -1.358
 Raman3 Fr= 1--      44.325                 20.853                 85.485
 ROA3   Fr= 1--     270.751                -19.461               -671.032
 CID3   Fr= 1--       6.108                 -0.933                 -7.850
 RC180  Fr= 1--      -0.880                 -0.949                  0.112
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.05    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.02  -0.07
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00   0.00     0.02   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00   0.00  -0.00    -0.02  -0.02   0.04    -0.00   0.00  -0.00
    12   1    -0.03   0.01  -0.05    -0.00   0.00  -0.00    -0.11   0.04  -0.22
    13   1    -0.04  -0.01   0.05    -0.00  -0.00   0.00    -0.15  -0.06   0.17
    14   1     0.00   0.02  -0.07     0.00   0.00  -0.00    -0.05  -0.25   0.88
    15   1     0.01  -0.02   0.04     0.00  -0.00   0.00    -0.04   0.08  -0.13
    16   1    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.09   0.44  -0.22    -0.00   0.01  -0.00    -0.01   0.02  -0.01
    18   1     0.51  -0.24  -0.23     0.01  -0.00  -0.00     0.02  -0.01  -0.01
    19   1    -0.43  -0.35  -0.11    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01
    20   1    -0.09  -0.07  -0.02    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
    21   1     0.09  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.03  -0.02
    22   1     0.01   0.01   0.11     0.00   0.00   0.00    -0.00  -0.00  -0.02
    23   1     0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.02  -0.06
    24   1     0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00   0.01  -0.02
    25   1    -0.00   0.00   0.01     0.07  -0.37  -0.53    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.30  -0.02   0.21     0.00  -0.00   0.00
    27   1     0.00  -0.01   0.00    -0.11   0.62  -0.19     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3051.9667              3062.7875              3076.3744
 Red. masses --      1.0613                 1.0600                 1.1012
 Frc consts  --      5.8242                 5.8585                 6.1406
 IR Inten    --     47.2877                27.8421                15.1872
 RamAct Fr= 1--    236.0493               163.6517                55.9216
  Dep-P Fr= 1--      0.0843                 0.0662                 0.6763
  Dep-U Fr= 1--      0.1555                 0.1243                 0.8069
 Alpha2 Fr= 1--      4.2942                 3.1095                 0.0728
 Beta2  Fr= 1--      6.1158                 3.3890                 7.5208
 AlphaG Fr= 1--     -0.0739                 0.1258                -0.0077
 Gamma2 Fr= 1--      2.8308                 5.1126                 3.8519
 Delta2 Fr= 1--      1.0678                -8.2216                 1.9627
 Raman1 Fr= 1--     944.197                654.607                223.686
 ROA1   Fr= 1--     305.921                227.714                432.593
 CID1   Fr= 1--       0.324                  0.348                  1.934
 Raman2 Fr= 1--      73.389                 40.669                 90.249
 ROA2   Fr= 1--      59.396                188.475                 76.745
 CID2   Fr= 1--       0.809                  4.634                  0.850
 Raman3 Fr= 1--     146.779                 81.337                180.499
 ROA3   Fr= 1--     305.921                227.714                432.593
 CID3   Fr= 1--       2.084                  2.800                  2.397
 RC180  Fr= 1--      -0.689                 -0.751                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.00  -0.01  -0.00     0.02  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.09  -0.01   0.02
     9   6    -0.06  -0.00  -0.02     0.01  -0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00   0.01   0.01    -0.01   0.06  -0.02     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1     0.33  -0.12   0.61    -0.08   0.03  -0.15    -0.00   0.00  -0.01
    13   1     0.38   0.15  -0.43     0.00   0.00   0.00     0.02   0.01  -0.02
    14   1    -0.02  -0.09   0.31    -0.00  -0.02   0.07     0.00   0.01  -0.03
    15   1     0.00  -0.01   0.02     0.17  -0.38   0.66    -0.00   0.01  -0.01
    16   1    -0.00  -0.10  -0.12    -0.01  -0.35  -0.47     0.00   0.02   0.02
    17   1    -0.01   0.04  -0.02    -0.01   0.03  -0.02    -0.00   0.03  -0.02
    18   1     0.04  -0.02  -0.02    -0.06   0.02   0.03    -0.13   0.06   0.06
    19   1    -0.05  -0.04  -0.01     0.03   0.02   0.01    -0.11  -0.09  -0.03
    20   1    -0.05  -0.05  -0.01     0.01   0.01   0.00     0.50   0.43   0.11
    21   1     0.06  -0.03  -0.03     0.01  -0.00  -0.00     0.58  -0.29  -0.27
    22   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.03  -0.01  -0.05
    23   1    -0.00   0.01  -0.02     0.00   0.01  -0.02     0.00  -0.00   0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.3391              3085.2505              3087.8658
 Red. masses --      1.0984                 1.1017                 1.1013
 Frc consts  --      6.1447                 6.1789                 6.1872
 IR Inten    --      8.8081                23.9431                39.8047
 RamAct Fr= 1--     63.1664                53.0304               100.2745
  Dep-P Fr= 1--      0.7490                 0.6924                 0.7420
  Dep-U Fr= 1--      0.8565                 0.8182                 0.8519
 Alpha2 Fr= 1--      0.0011                 0.0535                 0.0136
 Beta2  Fr= 1--      9.0166                 7.2317                14.2372
 AlphaG Fr= 1--     -0.0293                -0.2616                 0.0145
 Gamma2 Fr= 1--      3.3672                17.1925                16.4563
 Delta2 Fr= 1--      3.5599                15.6131                 7.0136
 Raman1 Fr= 1--     252.666                212.121                401.098
 ROA1   Fr= 1--     437.170               2150.101               1804.240
 CID1   Fr= 1--       1.730                 10.136                  4.498
 Raman2 Fr= 1--     108.199                 86.781                170.847
 ROA2   Fr= 1--      52.335                287.716                338.842
 CID2   Fr= 1--       0.484                  3.315                  1.983
 Raman3 Fr= 1--     216.399                173.562                341.693
 ROA3   Fr= 1--     437.170               2150.101               1804.240
 CID3   Fr= 1--       2.020                 12.388                  5.280
 RC180  Fr= 1--       0.713                  0.636                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.09   0.01   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.04  -0.08    -0.02  -0.00   0.01
     9   6     0.00   0.00  -0.00    -0.01  -0.00   0.02     0.00   0.00  -0.01
    10   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    11   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.00   0.00    -0.05   0.02  -0.08     0.04  -0.01   0.06
    13   1    -0.00  -0.00   0.00     0.11   0.04  -0.12    -0.06  -0.02   0.06
    14   1     0.00   0.00  -0.00    -0.01  -0.02   0.07     0.00   0.00  -0.01
    15   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.05  -0.07
    17   1     0.00  -0.00   0.00     0.02  -0.08   0.04     0.03  -0.24   0.12
    18   1    -0.00   0.00   0.00     0.04  -0.02  -0.02     0.61  -0.29  -0.29
    19   1    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01     0.41   0.36   0.12
    20   1     0.00   0.00   0.00     0.30   0.25   0.04     0.11   0.09   0.02
    21   1     0.00  -0.00  -0.00    -0.26   0.12   0.10     0.14  -0.07  -0.06
    22   1    -0.00  -0.00  -0.01     0.11   0.09   0.82    -0.01  -0.00  -0.03
    23   1     0.00  -0.00   0.00    -0.00   0.01  -0.02    -0.00   0.01  -0.03
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.07   0.38   0.59    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   1    -0.11   0.66  -0.22    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3094.3239              3095.4856              3114.5789
 Red. masses --      1.1064                 1.1019                 1.1077
 Frc consts  --      6.2413                 6.2208                 6.3310
 IR Inten    --     13.6079                39.4218                46.6982
 RamAct Fr= 1--    135.2683                35.1253               101.3170
  Dep-P Fr= 1--      0.5984                 0.4123                 0.6048
  Dep-U Fr= 1--      0.7487                 0.5839                 0.7537
 Alpha2 Fr= 1--      0.3802                 0.2489                 0.2716
 Beta2  Fr= 1--     16.8796                 3.4181                12.7277
 AlphaG Fr= 1--      0.0692                 0.5369                 0.1381
 Gamma2 Fr= 1--    -45.9567                27.6715                -6.5265
 Delta2 Fr= 1--    -27.0896                24.1673                -8.7020
 Raman1 Fr= 1--     541.073                140.501                405.268
 ROA1   Fr= 1--   -5278.705               3429.813               -905.007
 CID1   Fr= 1--      -9.756                 24.411                 -2.233
 Raman2 Fr= 1--     202.556                 41.018                152.732
 ROA2   Fr= 1--    -886.243                470.777                -87.020
 CID2   Fr= 1--      -4.375                 11.477                 -0.570
 Raman3 Fr= 1--     405.111                 82.035                305.465
 ROA3   Fr= 1--   -5278.705               3429.813               -905.007
 CID3   Fr= 1--     -13.030                 41.809                 -2.963
 RC180  Fr= 1--       0.497                  0.168                  0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04   0.01    -0.02  -0.08   0.01     0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     9   6     0.01   0.02  -0.07    -0.01  -0.01   0.03     0.00   0.01  -0.04
    10   6     0.00   0.01   0.03    -0.00  -0.01  -0.02    -0.01  -0.01  -0.08
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.24  -0.08   0.42    -0.09   0.03  -0.16     0.16  -0.05   0.28
    13   1    -0.41  -0.16   0.44     0.18   0.07  -0.20    -0.19  -0.07   0.20
    14   1     0.00   0.01  -0.04    -0.00  -0.01   0.04    -0.01  -0.03   0.11
    15   1    -0.03   0.08  -0.12     0.02  -0.05   0.07     0.13  -0.30   0.47
    16   1    -0.00  -0.20  -0.25     0.00   0.17   0.22     0.00   0.42   0.52
    17   1    -0.07   0.32  -0.17    -0.13   0.62  -0.32     0.02  -0.09   0.05
    18   1    -0.13   0.05   0.07    -0.06   0.01   0.03     0.02  -0.00  -0.01
    19   1     0.14   0.10   0.04     0.41   0.32   0.11    -0.04  -0.03  -0.01
    20   1     0.07   0.06   0.01     0.02   0.02   0.00     0.01   0.01   0.00
    21   1    -0.05   0.02   0.02     0.01  -0.01  -0.01    -0.01   0.00   0.00
    22   1     0.02   0.02   0.18     0.00   0.00   0.01     0.01   0.00   0.06
    23   1     0.00  -0.01   0.02     0.00  -0.01   0.02    -0.00   0.02  -0.06
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3143.8407              3145.4835              3150.5968
 Red. masses --      1.0910                 1.1000                 1.0863
 Frc consts  --      6.3533                 6.4126                 6.3529
 IR Inten    --      0.4467                13.4028                15.0975
 RamAct Fr= 1--     89.3156                95.5018                 8.4488
  Dep-P Fr= 1--      0.1724                 0.6702                 0.6682
  Dep-U Fr= 1--      0.2942                 0.8025                 0.8011
 Alpha2 Fr= 1--      1.3036                 0.1352                 0.0123
 Beta2  Fr= 1--      4.3788                12.7739                 1.1280
 AlphaG Fr= 1--      0.1148                -0.1022                 0.0421
 Gamma2 Fr= 1--     -6.0912                -0.5053                 2.3130
 Delta2 Fr= 1--     -4.9283                -1.4470                 1.3799
 Raman1 Fr= 1--     357.263                382.007                 33.795
 ROA1   Fr= 1--    -742.460                -94.812                266.200
 CID1   Fr= 1--      -2.078                 -0.248                  7.877
 Raman2 Fr= 1--      52.546                153.287                 13.536
 ROA2   Fr= 1--    -106.763                 -0.552                 44.472
 CID2   Fr= 1--      -2.032                 -0.004                  3.285
 Raman3 Fr= 1--     105.092                306.575                 27.073
 ROA3   Fr= 1--    -742.460                -94.812                266.200
 CID3   Fr= 1--      -7.065                 -0.309                  9.833
 RC180  Fr= 1--      -0.412                  0.605                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.02  -0.06     0.00  -0.01   0.02    -0.01   0.02  -0.05
     5   6    -0.00  -0.02   0.05     0.00   0.00  -0.00    -0.00   0.02  -0.06
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.02   0.00  -0.01    -0.06   0.01  -0.06    -0.01   0.00  -0.01
    12   1     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.01
    13   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.01  -0.00   0.01
    14   1    -0.00  -0.01   0.03     0.00   0.01  -0.02     0.00  -0.02   0.06
    15   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.00  -0.01   0.02
    16   1     0.00   0.01   0.01    -0.00  -0.00  -0.01     0.00   0.01   0.01
    17   1     0.01  -0.03   0.01    -0.00   0.01  -0.01     0.01  -0.03   0.01
    18   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    23   1     0.04  -0.23   0.66    -0.02   0.09  -0.26     0.04  -0.21   0.61
    24   1    -0.01   0.22  -0.62     0.00  -0.02   0.05     0.01  -0.25   0.70
    25   1    -0.01   0.03   0.04    -0.04   0.14   0.19    -0.01   0.03   0.04
    26   1     0.19  -0.01   0.12     0.74  -0.04   0.49     0.11  -0.01   0.07
    27   1     0.01  -0.05   0.01     0.03  -0.23   0.06     0.01  -0.04   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   821.588273645.118703714.03991
           X            0.99986   0.00243  -0.01626
           Y           -0.00317   0.99895  -0.04580
           Z            0.01613   0.04585   0.99882
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10542     0.02376     0.02332
 Rotational constants (GHZ):           2.19665     0.49511     0.48592
 Zero-point vibrational energy     621694.5 (Joules/Mol)
                                  148.58856 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     46.20    91.33   113.17   166.20   192.95
          (Kelvin)            225.55   318.18   353.10   378.33   412.30
                              459.17   495.94   525.96   593.22   635.60
                              739.71   842.68   856.05   907.38  1049.83
                             1152.05  1228.23  1267.39  1301.71  1317.58
                             1367.47  1379.71  1392.47  1396.44  1445.41
                             1471.57  1482.52  1514.15  1578.94  1662.96
                             1702.85  1706.83  1751.08  1772.96  1794.09
                             1817.22  1841.90  1863.77  1894.84  1925.96
                             1988.18  2012.63  2023.04  2046.77  2107.61
                             2121.22  2134.16  2138.88  2147.62  2162.03
                             2167.00  2172.50  2407.28  2535.24  4341.75
                             4357.37  4358.88  4382.23  4391.10  4406.67
                             4426.22  4433.36  4438.99  4442.75  4452.04
                             4453.71  4481.18  4523.29  4525.65  4533.01
 
 Zero-point correction=                           0.236791 (Hartree/Particle)
 Thermal correction to Energy=                    0.249346
 Thermal correction to Enthalpy=                  0.250290
 Thermal correction to Gibbs Free Energy=         0.197559
 Sum of electronic and zero-point Energies=           -465.874862
 Sum of electronic and thermal Energies=              -465.862307
 Sum of electronic and thermal Enthalpies=            -465.861363
 Sum of electronic and thermal Free Energies=         -465.914094
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.467             46.457            110.982
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.787
 Vibrational            154.689             40.495             39.227
 Vibration     1          0.594              1.983              5.694
 Vibration     2          0.597              1.972              4.346
 Vibration     3          0.600              1.964              3.924
 Vibration     4          0.608              1.937              3.174
 Vibration     5          0.613              1.919              2.886
 Vibration     6          0.620              1.895              2.588
 Vibration     7          0.648              1.809              1.950
 Vibration     8          0.660              1.770              1.763
 Vibration     9          0.670              1.741              1.642
 Vibration    10          0.684              1.699              1.494
 Vibration    11          0.705              1.637              1.315
 Vibration    12          0.723              1.586              1.190
 Vibration    13          0.739              1.543              1.098
 Vibration    14          0.776              1.444              0.918
 Vibration    15          0.802              1.379              0.821
 Vibration    16          0.869              1.219              0.624
 Vibration    17          0.943              1.062              0.475
 Vibration    18          0.953              1.042              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.134727D-90        -90.870544       -209.237160
 Total V=0       0.111078D+19         18.045629         41.551596
 Vib (Bot)       0.153028-104       -104.815230       -241.345986
 Vib (Bot)    1  0.644648D+01          0.809323          1.863535
 Vib (Bot)    2  0.325172D+01          0.512113          1.179185
 Vib (Bot)    3  0.261872D+01          0.418089          0.962685
 Vib (Bot)    4  0.177089D+01          0.248191          0.571482
 Vib (Bot)    5  0.151855D+01          0.181428          0.417753
 Vib (Bot)    6  0.129086D+01          0.110880          0.255311
 Vib (Bot)    7  0.894019D+00         -0.048653         -0.112028
 Vib (Bot)    8  0.796983D+00         -0.098551         -0.226921
 Vib (Bot)    9  0.737573D+00         -0.132195         -0.304390
 Vib (Bot)   10  0.668573D+00         -0.174851         -0.402610
 Vib (Bot)   11  0.589331D+00         -0.229641         -0.528768
 Vib (Bot)   12  0.537080D+00         -0.269961         -0.621607
 Vib (Bot)   13  0.499530D+00         -0.301439         -0.694088
 Vib (Bot)   14  0.428356D+00         -0.368195         -0.847801
 Vib (Bot)   15  0.390773D+00         -0.408075         -0.939628
 Vib (Bot)   16  0.315645D+00         -0.500801         -1.153136
 Vib (Bot)   17  0.258691D+00         -0.587219         -1.352122
 Vib (Bot)   18  0.252257D+00         -0.598157         -1.377308
 Vib (V=0)       0.126166D+05          4.100943          9.442771
 Vib (V=0)    1  0.696585D+01          0.842974          1.941019
 Vib (V=0)    2  0.378994D+01          0.578632          1.332350
 Vib (V=0)    3  0.316602D+01          0.500514          1.152476
 Vib (V=0)    4  0.234012D+01          0.369239          0.850203
 Vib (V=0)    5  0.209874D+01          0.321959          0.741339
 Vib (V=0)    6  0.188431D+01          0.275153          0.633564
 Vib (V=0)    7  0.152434D+01          0.183082          0.421561
 Vib (V=0)    8  0.144084D+01          0.158616          0.365227
 Vib (V=0)    9  0.139107D+01          0.143350          0.330077
 Vib (V=0)   10  0.133486D+01          0.125435          0.288826
 Vib (V=0)   11  0.127286D+01          0.104780          0.241265
 Vib (V=0)   12  0.123380D+01          0.091243          0.210095
 Vib (V=0)   13  0.120677D+01          0.081626          0.187951
 Vib (V=0)   14  0.115840D+01          0.063858          0.147039
 Vib (V=0)   15  0.113459D+01          0.054839          0.126271
 Vib (V=0)   16  0.109130D+01          0.037943          0.087367
 Vib (V=0)   17  0.106296D+01          0.026516          0.061055
 Vib (V=0)   18  0.106003D+01          0.025318          0.058297
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.119386D+07          6.076952         13.992699
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003486    0.000001958   -0.000016473
      2        6           0.000010401   -0.000007725    0.000028096
      3        6           0.000014260   -0.000035651    0.000017460
      4        6          -0.000017283    0.000008939    0.000004838
      5        6           0.000012087    0.000001995   -0.000005767
      6        6          -0.000006241    0.000000059   -0.000008061
      7        8           0.000000154    0.000000351    0.000005262
      8        6          -0.000000530    0.000016057   -0.000015160
      9        6           0.000005681   -0.000000596   -0.000016399
     10        6          -0.000001360    0.000035210   -0.000013940
     11        6          -0.000003918    0.000002344   -0.000001519
     12        1          -0.000004948   -0.000003735    0.000004686
     13        1           0.000005182   -0.000002791    0.000002496
     14        1          -0.000009704    0.000003417   -0.000004845
     15        1          -0.000007296   -0.000005340    0.000005557
     16        1           0.000005564   -0.000002597    0.000003092
     17        1           0.000000698    0.000000579    0.000001088
     18        1           0.000000703   -0.000000834   -0.000000093
     19        1          -0.000001718    0.000000763    0.000002089
     20        1          -0.000001668   -0.000006512   -0.000001153
     21        1           0.000002785   -0.000003516   -0.000000233
     22        1          -0.000001286   -0.000003034    0.000001345
     23        1           0.000001222    0.000003928   -0.000000631
     24        1           0.000000197   -0.000003374    0.000002626
     25        1           0.000000049    0.000000284    0.000003150
     26        1          -0.000000404    0.000001126   -0.000000041
     27        1           0.000000859   -0.000001304    0.000002529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035651 RMS     0.000008976
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.173201D+03  0.564181D+01 -0.299436D+01
      2   0.564181D+01  0.111455D+03 -0.284379D+01
      3  -0.299436D+01 -0.284379D+01  0.115759D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.464456D+01 -0.759478D+01 -0.739274D+01
      2   0.315214D+02 -0.112980D+02 -0.792864D+01
      3  -0.244978D+02  0.413534D+02  0.151178D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.773347D+02  0.272877D+02 -0.844646D-01
      2  -0.650250D+02  0.139816D+00  0.369221D+01
      3  -0.123097D+02 -0.274275D+02 -0.360775D+01
      4   0.363648D+02 -0.988890D+02 -0.338682D+02
      5  -0.252887D+02 -0.334024D+02 -0.148911D+02
      6  -0.149427D+02 -0.280858D+02  0.102568D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.371167D+01 -0.458730D+01 -0.460881D+01 -0.491583D+01 -0.169941D+01
      2  -0.458730D+01 -0.181661D+01  0.921243D+00 -0.169941D+01  0.161938D+01
      3  -0.460881D+01  0.921243D+00  0.162406D+01  0.118146D+01 -0.402982D+01
                 6             7             8             9            10 
      1   0.118146D+01 -0.343498D+01  0.119045D+01  0.152760D+01 -0.221108D+02
      2  -0.402982D+01  0.119045D+01 -0.331628D+01  0.542807D+00  0.696181D+01
      3   0.968255D+00  0.152760D+01  0.542807D+00  0.319002D+01  0.400755D+01
                11            12            13            14            15 
      1   0.696181D+01  0.400755D+01  0.109480D+02 -0.322949D+00 -0.145846D+01
      2   0.147320D+01 -0.685208D+00 -0.322949D+00  0.109013D+01  0.318178D+01
      3  -0.685208D+00 -0.182240D+01 -0.145846D+01  0.318178D+01 -0.762484D-01
                16            17            18            19            20 
      1   0.139792D+02 -0.178864D+01 -0.265675D+01  0.473871D+02  0.135837D+00
      2  -0.178864D+01  0.423044D+01  0.572776D+00  0.135837D+00  0.459241D+01
      3  -0.265675D+01  0.572776D+00 -0.478272D+01 -0.108595D+01  0.126454D+01
                21            22            23            24            25 
      1  -0.108595D+01 -0.407590D+01  0.914577D+01  0.296748D+01 -0.368589D+01
      2   0.126454D+01  0.914577D+01  0.119337D+01 -0.631184D+00  0.245255D+01
      3   0.640802D+00  0.296748D+01 -0.631184D+00 -0.303611D+01  0.109117D+01
                26            27            28            29            30 
      1   0.245255D+01  0.109117D+01 -0.651813D+02 -0.368412D+01  0.638145D+00
      2  -0.134744D+01 -0.258338D+01 -0.368412D+01 -0.408824D+01 -0.903414D+00
      3  -0.258338D+01  0.500713D+01  0.638145D+00 -0.903414D+00 -0.160594D+01
                31            32            33            34            35 
      1  -0.113801D+02 -0.607867D+01 -0.155127D+01  0.945494D+01 -0.291814D+00
      2  -0.607867D+01 -0.327721D+01 -0.497450D+00 -0.291814D+00  0.109231D+01
      3  -0.155127D+01 -0.497450D+00  0.139582D+01 -0.221487D+01  0.183731D+01
                36            37            38            39            40 
      1  -0.221487D+01  0.598255D+02  0.341141D+01  0.262235D+01  0.131289D+02
      2   0.183731D+01  0.341141D+01  0.236330D+01  0.101285D+01  0.506806D+01
      3  -0.334921D+01  0.262235D+01  0.101285D+01  0.117210D+01  0.124369D+01
                41            42            43            44            45 
      1   0.506806D+01  0.124369D+01 -0.125884D+02 -0.420468D+00  0.398482D+01
      2   0.270154D+01 -0.486916D+00 -0.420468D+00 -0.203887D+01 -0.204603D+01
      3  -0.486916D+00 -0.191140D+01  0.398482D+01 -0.204603D+01  0.248868D+01
                46            47            48            49            50 
      1  -0.204560D+02 -0.113039D+01 -0.328130D+01  0.479423D+01  0.374480D+00
      2  -0.113039D+01  0.124616D+01  0.185853D+00  0.374480D+00  0.624430D+00
      3  -0.328130D+01  0.185853D+00  0.750724D+00  0.292120D+01 -0.973883D+00
                51            52            53            54            55 
      1   0.292120D+01 -0.233843D+02  0.110005D+01 -0.824917D+01  0.529254D+01
      2  -0.973883D+00  0.110005D+01  0.739266D+00  0.998815D+00 -0.753446D+00
      3   0.148575D+01 -0.824917D+01  0.998815D+00 -0.539714D+01  0.287629D+01
                56            57            58            59            60 
      1  -0.753446D+00  0.287629D+01 -0.804702D+01  0.184933D+01 -0.282086D+01
      2   0.242957D+00 -0.491153D+00  0.184933D+01 -0.195513D+01  0.296785D+01
      3  -0.491153D+00  0.106713D+01 -0.282086D+01  0.296785D+01 -0.160492D+01
                61            62            63            64            65 
      1   0.236042D+02 -0.579600D+00  0.941774D+01  0.700837D+01 -0.580041D+01
      2  -0.579600D+00  0.106950D+01 -0.145921D+01 -0.580041D+01 -0.145346D+01
      3   0.941774D+01 -0.145921D+01  0.106168D+02 -0.205292D+01  0.106446D+01
                66            67            68            69            70 
      1  -0.205292D+01 -0.568302D+01 -0.125118D+01  0.130080D+01 -0.523758D+01
      2   0.106446D+01 -0.125118D+01 -0.613979D+00 -0.264984D+01  0.158820D+01
      3   0.129282D+01  0.130080D+01 -0.264984D+01  0.125414D+01  0.178375D+01
                71            72            73            74            75 
      1   0.158820D+01  0.178375D+01  0.109683D+01  0.107917D+01 -0.117151D+01
      2  -0.321028D+01  0.497472D-01  0.107917D+01 -0.405878D+01 -0.197440D+01
      3   0.497472D-01  0.665448D+01 -0.117151D+01 -0.197440D+01  0.325381D+01
                76            77            78            79            80 
      1   0.172323D+01 -0.463033D+01 -0.288595D+01 -0.214800D+01 -0.274806D+01
      2  -0.463033D+01 -0.298060D+01 -0.117668D+01 -0.274806D+01 -0.162867D+01
      3  -0.288595D+01 -0.117668D+01 -0.790556D+00  0.493130D+01 -0.217591D+00
                81            82            83            84            85 
      1   0.493130D+01 -0.862839D+01 -0.708094D+01 -0.103976D+01 -0.861858D+01
      2  -0.217591D+00 -0.708094D+01 -0.201788D+01  0.100906D+01 -0.394150D+01
      3   0.221378D+01 -0.103976D+01  0.100906D+01 -0.614561D+00  0.643630D+00
                86            87            88            89            90 
      1  -0.394150D+01  0.643630D+00  0.542756D+01  0.216638D+01 -0.352734D+00
      2   0.162585D+01  0.139123D+01  0.216638D+01  0.260257D+01  0.500179D+01
      3   0.139123D+01  0.370139D+01 -0.352734D+00  0.500179D+01 -0.466804D+00
                91            92            93            94            95 
      1  -0.134553D+01  0.159958D+01 -0.474413D+01  0.305817D+01 -0.239497D+00
      2   0.159958D+01  0.105003D+01 -0.115272D+01 -0.239497D+00 -0.445315D+01
      3  -0.474413D+01 -0.115272D+01 -0.118166D+01 -0.104237D+01  0.352455D+01
                96            97            98            99           100 
      1  -0.104237D+01 -0.819333D+01 -0.121464D+01 -0.313057D+01 -0.484855D+01
      2   0.352455D+01 -0.121464D+01  0.286649D+01  0.126002D+01 -0.221547D+00
      3   0.175835D+01 -0.313057D+01  0.126002D+01  0.412066D+01 -0.266581D+01
               101           102           103           104           105 
      1  -0.221547D+00 -0.266581D+01  0.717104D+00 -0.552776D+00  0.749265D+00
      2  -0.427009D+00  0.125592D+00 -0.552776D+00  0.473503D+00 -0.683565D+00
      3   0.125592D+00 -0.251033D+01  0.749265D+00 -0.683565D+00  0.715365D+00
               106           107           108           109           110 
      1  -0.429357D+01  0.273572D+00 -0.421866D+01 -0.782011D+01 -0.205954D+01
      2   0.273572D+00 -0.137793D+01 -0.105897D+00 -0.205954D+01 -0.110499D+01
      3  -0.421866D+01 -0.105897D+00 -0.529647D+01  0.268533D+01  0.808253D+00
               111           112           113           114           115 
      1   0.268533D+01 -0.175251D+01 -0.146325D+01  0.916775D+00  0.532567D+01
      2   0.808253D+00 -0.146325D+01 -0.115914D+01  0.862085D+00  0.156717D+01
      3  -0.221577D+01  0.916775D+00  0.862085D+00 -0.597343D+00 -0.367751D+01
               116           117           118           119           120 
      1   0.156717D+01 -0.367751D+01  0.530090D+00  0.509511D+00 -0.963977D+00
      2   0.162875D+01 -0.914207D+00  0.509511D+00 -0.314948D+00 -0.213387D+00
      3  -0.914207D+00  0.273417D+01 -0.963977D+00 -0.213387D+00  0.326508D+00
               121           122           123           124           125 
      1   0.151395D+01 -0.637000D+00 -0.919961D-01 -0.949497D+00 -0.316802D-01
      2  -0.637000D+00  0.651979D+00 -0.103524D+01 -0.316802D-01 -0.139874D+01
      3  -0.919961D-01 -0.103524D+01  0.145554D+01 -0.199460D+00  0.974708D+00
               126           127           128           129           130 
      1  -0.199460D+00  0.772367D+00 -0.191455D+00  0.691915D+00  0.158225D+00
      2   0.974708D+00 -0.191455D+00  0.120427D+01 -0.557861D+00  0.399540D+00
      3  -0.701890D+01  0.691915D+00 -0.557861D+00  0.659064D+00 -0.271227D+00
               131           132           133           134           135 
      1   0.399540D+00 -0.271227D+00  0.130592D+01 -0.288515D+00  0.214412D+00
      2  -0.443140D+01  0.183583D+01 -0.288515D+00  0.340025D+01 -0.287234D+01
      3   0.183583D+01 -0.197367D+01  0.214412D+00 -0.287234D+01  0.353572D+01
               136           137           138           139           140 
      1   0.113163D+01 -0.507511D+00 -0.676845D+00  0.975327D+00 -0.735225D+00
      2  -0.507511D+00  0.309929D+00 -0.299161D-01 -0.735225D+00 -0.679294D+01
      3  -0.676845D+00 -0.299161D-01  0.984374D-01 -0.486604D+00 -0.339429D+01
               141           142           143           144           145 
      1  -0.486604D+00 -0.231031D+01 -0.118836D+01 -0.667758D+00  0.383586D+00
      2  -0.339429D+01 -0.118836D+01 -0.536207D+01 -0.437205D+01 -0.375375D+00
      3  -0.266935D+01 -0.667758D+00 -0.437205D+01 -0.413314D+01  0.104971D+01
               146           147           148           149           150 
      1  -0.375375D+00  0.104971D+01 -0.660172D+00  0.646028D+00 -0.117320D+00
      2   0.672672D+00 -0.336262D+00  0.646028D+00 -0.430638D+01  0.241025D+01
      3  -0.336262D+00  0.360854D+00 -0.117320D+00  0.241025D+01 -0.338685D+01
               151           152           153           154           155 
      1   0.818751D+00 -0.257701D+00  0.728374D-01 -0.672310D+01  0.255408D+01
      2  -0.257701D+00  0.203372D+01 -0.199272D+01  0.255408D+01 -0.167564D+01
      3   0.728374D-01 -0.199272D+01  0.292814D+01  0.383583D+01 -0.146694D+01
               156           157           158           159           160 
      1   0.383583D+01  0.211402D+01 -0.156656D+01 -0.133558D+01  0.194575D+01
      2  -0.146694D+01 -0.156656D+01  0.162594D+01  0.174289D+01 -0.994755D+00
      3  -0.365359D+01 -0.133558D+01  0.174289D+01  0.152125D+01 -0.250072D+01
               161           162           163           164           165 
      1  -0.994755D+00 -0.250072D+01  0.344834D+01  0.209074D+01  0.145935D+01
      2   0.106186D+01  0.112504D+01  0.209074D+01  0.233813D+01  0.111953D+01
      3   0.112504D+01  0.280874D+01  0.145935D+01  0.111953D+01  0.199472D+01
               166           167           168           169           170 
      1   0.192931D+01  0.165218D+01  0.586909D+00  0.607662D+00  0.435222D+00
      2   0.165218D+01  0.305539D+01  0.195098D+01  0.435222D+00  0.105631D+01
      3   0.586909D+00  0.195098D+01  0.179248D+01  0.824756D+00  0.957890D+00
               171           172           173           174           175 
      1   0.824756D+00  0.263093D+01  0.235285D+01  0.424644D+00  0.175999D+01
      2   0.957890D+00  0.235285D+01  0.421437D+01 -0.163368D+00  0.188828D+01
      3   0.131921D+01  0.424644D+00 -0.163368D+00  0.852885D+00  0.166460D-01
               176           177           178           179           180 
      1   0.188828D+01  0.166460D-01  0.813061D+00 -0.591754D-01  0.340451D+00
      2   0.554643D+01  0.251352D+00 -0.591754D-01  0.112142D+01  0.869993D+00
      3   0.251352D+00  0.660884D+00  0.340451D+00  0.869993D+00 -0.251802D+00
               181           182           183           184           185 
      1  -0.770561D+01  0.458221D+01  0.123266D+01  0.211938D+01 -0.273265D+01
      2   0.458221D+01 -0.337279D+01 -0.570303D+00 -0.273265D+01  0.324392D+01
      3   0.123266D+01 -0.570303D+00 -0.143447D+01 -0.663317D+00  0.770871D+00
               186           187           188           189           190 
      1  -0.663317D+00  0.315168D+01 -0.159431D+01 -0.153270D+01 -0.124682D+01
      2   0.770871D+00 -0.159431D+01  0.204361D+01  0.917836D+00  0.788980D+00
      3   0.462378D+00 -0.153270D+01  0.917836D+00  0.587162D+00 -0.100153D+01
               191           192           193           194           195 
      1   0.788980D+00 -0.100153D+01  0.227400D+00  0.466121D-01 -0.140409D+00
      2  -0.512899D-01  0.469599D-01  0.466121D-01 -0.137768D+00 -0.712147D+00
      3   0.469599D-01 -0.100518D+01 -0.140409D+00 -0.712147D+00 -0.435061D+00
               196           197           198           199           200 
      1  -0.131185D+01  0.409681D+00 -0.195336D+01 -0.162999D+01 -0.478322D+00
      2   0.409681D+00 -0.162360D+01  0.122072D+01 -0.478322D+00  0.345443D-01
      3  -0.195336D+01  0.122072D+01 -0.844944D+01  0.935246D+00 -0.630767D-01
               201           202           203           204           205 
      1   0.935246D+00 -0.115080D+01  0.883367D+00  0.295869D+00  0.173783D+01
      2  -0.630767D-01  0.883367D+00 -0.796674D+00  0.115123D+01  0.433258D+00
      3  -0.192127D-01  0.295869D+00  0.115123D+01 -0.128702D+01 -0.375252D+00
               206           207           208           209           210 
      1   0.433258D+00 -0.375252D+00  0.141738D+01  0.691564D+00 -0.125450D+01
      2   0.135178D+01 -0.126160D+01  0.691564D+00  0.504760D-01 -0.588128D-01
      3  -0.126160D+01  0.473667D+01 -0.125450D+01 -0.588128D-01 -0.249735D+00
               211           212           213           214           215 
      1   0.949386D+00 -0.230046D+00 -0.750708D+00 -0.180749D+01 -0.579087D+00
      2  -0.230046D+00  0.655478D+00 -0.975172D+00 -0.579087D+00 -0.132780D+01
      3  -0.750708D+00 -0.975172D+00  0.192661D+01  0.914316D+00  0.181605D+01
               216           217           218           219           220 
      1   0.914316D+00  0.248753D+01 -0.838942D+00 -0.652752D+00 -0.231852D+01
      2   0.181605D+01 -0.838942D+00  0.217680D+00  0.515659D+00  0.106258D+01
      3  -0.643863D+01 -0.652752D+00  0.515659D+00  0.843131D+00  0.139188D+01
               221           222           223           224           225 
      1   0.106258D+01  0.139188D+01 -0.319266D+01  0.356866D+00  0.319385D+01
      2  -0.148281D+01 -0.226188D+01  0.356866D+00 -0.223219D+01 -0.178754D+01
      3  -0.226188D+01 -0.290255D+01  0.319385D+01 -0.178754D+01 -0.674284D+01
               226           227           228           229           230 
      1   0.971109D+01  0.244373D+00  0.236845D+01 -0.619953D+00  0.124352D+01
      2   0.244373D+00  0.103016D+01  0.189284D+00  0.124352D+01  0.388268D+00
      3   0.236845D+01  0.189284D+00  0.162882D+01  0.133825D+00  0.130526D+00
               231           232           233           234           235 
      1   0.133825D+00  0.520366D+01  0.440613D+00  0.218538D+01  0.861310D+00
      2   0.130526D+00  0.440613D+00  0.629450D+00 -0.815339D-01  0.707191D+00
      3  -0.295440D+00  0.218538D+01 -0.815339D-01  0.162389D+01  0.372347D+00
               236           237           238           239           240 
      1   0.707191D+00  0.372347D+00  0.310579D+01  0.182129D+01 -0.733356D+00
      2  -0.658634D+00  0.403555D+00  0.182129D+01  0.789157D+01 -0.266336D+01
      3   0.403555D+00 -0.253011D+00 -0.733356D+00 -0.266336D+01  0.186831D+01
               241           242           243 
      1  -0.838066D+00 -0.377214D+00  0.124715D+01
      2  -0.377214D+00 -0.206384D+01  0.154858D+01
      3   0.124715D+01  0.154858D+01 -0.223814D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.609021D+01 -0.469139D+01  0.132411D+01 -0.403380D+01  0.706424D+01
      2   0.651152D+01  0.822223D+01  0.950417D+01  0.678993D+01  0.126243D+02
      3  -0.832602D+01 -0.948852D+01 -0.167541D+01 -0.443868D+01  0.113539D+01
                 6             7             8             9            10 
      1  -0.137039D+02  0.105949D+00 -0.637585D+01  0.712267D+00 -0.221829D+01
      2  -0.428549D+01  0.217220D+01 -0.253651D+01 -0.860369D+01 -0.198734D+02
      3  -0.664878D+01 -0.388109D+00 -0.601544D+01  0.193064D+01  0.161501D+02
                11            12            13            14            15 
      1   0.270385D+01  0.104930D+01  0.448813D+01 -0.517814D+01 -0.388834D+01
      2   0.138203D+01  0.796022D+01  0.304815D+01 -0.100261D+02 -0.591955D+00
      3   0.512674D+01  0.264811D+01  0.164667D+02  0.703152D+01  0.696017D+01
                16            17            18            19            20 
      1   0.221652D+01  0.701558D+01  0.371551D+01 -0.573162D-01 -0.188068D+01
      2   0.765865D+01 -0.115533D+01  0.107169D+02  0.264315D+02  0.104898D+01
      3  -0.379789D+01  0.770666D+01 -0.112868D+00 -0.218747D+02 -0.710065D+01
                21            22            23            24            25 
      1  -0.120613D+01 -0.793272D+01 -0.276350D+01 -0.294194D+01 -0.293868D+01
      2   0.229440D+01 -0.184968D+01  0.661544D+01  0.515993D+01 -0.150705D+02
      3  -0.458549D+00  0.972696D+00 -0.739914D+01 -0.202092D+01 -0.372324D+00
                26            27            28            29            30 
      1   0.200413D+01  0.523217D+01  0.407913D+01  0.131118D+00  0.276214D+00
      2   0.342434D+01 -0.318690D+01 -0.361480D+02 -0.437482D+01 -0.350027D+01
      3  -0.328035D+01 -0.208770D+01  0.189269D+02  0.834500D+01  0.135160D+01
                31            32            33            34            35 
      1   0.333258D+01  0.247802D+01 -0.262010D+01  0.216789D+01  0.660584D-01
      2  -0.123141D+02 -0.371198D+01 -0.132053D+01 -0.137454D+02 -0.147645D+01
      3   0.342195D+02  0.693735D+01  0.190968D+00  0.251349D+01  0.737816D+00
                36            37            38            39            40 
      1  -0.437885D+01 -0.274367D+01 -0.134020D+01 -0.790777D+00 -0.830044D+01
      2  -0.143188D+01  0.436168D+02  0.372403D+01  0.128042D+02  0.142634D+02
      3   0.275393D-01 -0.153257D+02 -0.125511D+02 -0.185210D+01 -0.103036D+02
                41            42            43            44            45 
      1  -0.351176D+00 -0.499048D+01  0.135691D+01  0.254325D+00 -0.833333D+00
      2   0.324984D+01 -0.167112D+01 -0.129611D+02 -0.383634D+01  0.602400D+01
      3  -0.666872D+01  0.806233D+00 -0.114857D+01 -0.715263D+00  0.153786D+01
                46            47            48            49            50 
      1  -0.796334D-01  0.262541D+01  0.265826D+01 -0.449554D+01  0.398209D+01
      2  -0.120108D+02 -0.327703D+01 -0.476127D+01  0.527300D+01 -0.268955D+01
      3   0.739948D+00  0.132213D+02  0.518603D+01  0.263648D+02  0.170912D+01
                51            52            53            54            55 
      1  -0.670730D+01  0.270483D+01 -0.333946D+01 -0.242410D+01  0.128770D+01
      2   0.655315D+01 -0.487076D+02  0.328038D+00 -0.263628D+02  0.319160D+01
      3   0.187415D+01  0.474651D+01  0.886110D+01 -0.156161D+01  0.673513D+00
                56            57            58            59            60 
      1  -0.891017D+00 -0.676487D+00 -0.465063D+00 -0.286045D+01 -0.170329D+01
      2  -0.105692D+01  0.766324D+01 -0.850655D+01  0.863469D+01 -0.873302D+01
      3  -0.789281D+01 -0.385257D-01 -0.736523D+01  0.651715D+01 -0.781744D+01
                61            62            63            64            65 
      1  -0.169821D+01  0.844739D+01  0.518924D+00  0.890923D+01 -0.195168D+01
      2   0.287867D+02 -0.437815D+01  0.428457D+02  0.907149D+01 -0.720612D+01
      3  -0.361889D+01 -0.126095D+02  0.332393D+01 -0.102051D+02 -0.211650D+02
                66            67            68            69            70 
      1  -0.412663D+01 -0.205110D+01  0.795741D+01 -0.174570D+01 -0.713056D+01
      2  -0.235440D+01 -0.652824D+01  0.553167D+01 -0.196287D+01 -0.980614D+01
      3  -0.166449D+01 -0.110538D+02 -0.660465D+01 -0.445716D+01 -0.877242D-02
                71            72            73            74            75 
      1   0.510746D+01 -0.164345D+02 -0.548457D+00 -0.185231D+01  0.386969D+01
      2   0.105045D+01 -0.157267D+02  0.506565D+01  0.861118D+01 -0.107622D+02
      3  -0.499847D+01  0.370347D+01  0.578824D+01 -0.223551D+02 -0.806014D+01
                76            77            78            79            80 
      1  -0.192127D+01 -0.584377D+00 -0.251255D+01  0.573167D+01  0.198270D+01
      2   0.114820D+02  0.281937D+01  0.922227D+00 -0.241251D+02 -0.183089D+01
      3  -0.153959D+02 -0.517287D+01 -0.250649D+01 -0.936075D+01 -0.178223D+01
                81            82            83            84            85 
      1   0.225521D+01  0.210649D+01  0.477707D+01 -0.219407D+01  0.610312D+01
      2  -0.569755D+01 -0.511816D+01 -0.695900D+01  0.250574D+01 -0.899549D+01
      3  -0.520334D+01 -0.678614D+01  0.856431D+01  0.283290D+01  0.203107D+02
                86            87            88            89            90 
      1   0.472264D+01  0.725743D+01 -0.264285D+01  0.163370D+02 -0.340961D+01
      2  -0.507248D+01 -0.570572D+01  0.419396D+00 -0.682627D+01  0.134762D+01
      3   0.892711D+01  0.183970D+00  0.340616D+01 -0.104898D+00  0.104894D+02
                91            92            93            94            95 
      1   0.713470D+00 -0.237793D+01  0.107204D+01  0.574448D+01  0.299750D+01
      2  -0.204397D+02 -0.289872D+01 -0.471176D+01 -0.363106D+01  0.153163D+02
      3  -0.789353D+01 -0.115165D+02  0.250879D+01  0.121806D+02  0.213816D+02
                96            97            98            99           100 
      1  -0.863458D+01  0.469766D+01 -0.829417D+00 -0.422198D+01 -0.214763D+01
      2   0.876287D+01 -0.232008D+02  0.423998D+01  0.153222D+02  0.597290D+01
      3  -0.207002D+02  0.474186D+01 -0.113718D+02 -0.824232D+01  0.357271D+01
               101           102           103           104           105 
      1   0.116685D+01 -0.222265D+01  0.658569D+00 -0.118305D+01 -0.186322D-01
      2  -0.847303D+00  0.933208D+01 -0.228537D+01  0.206959D+01 -0.229258D+01
      3  -0.256383D+01  0.295676D+01 -0.332118D+00  0.281036D+01 -0.281774D+01
               106           107           108           109           110 
      1  -0.367586D+01  0.303281D+01 -0.460753D+01  0.295666D+01 -0.166542D+00
      2   0.996015D+01  0.114736D+00  0.171413D+02 -0.103847D+02 -0.319841D+01
      3   0.493573D+01 -0.620851D+01  0.351678D+01  0.112176D+01 -0.460779D+01
               111           112           113           114           115 
      1  -0.282050D+01  0.161534D+01  0.614024D+00 -0.171284D+01 -0.340068D+01
      2   0.109181D+02 -0.377628D+01 -0.337374D+01  0.283310D+01  0.119952D+02
      3   0.149073D+00 -0.511340D+00 -0.280360D+01  0.205950D+01  0.488766D+00
               116           117           118           119           120 
      1   0.773849D+00  0.326937D+01 -0.115518D+01  0.112898D+00  0.178305D+00
      2   0.314294D+01 -0.119045D+02  0.302444D+01  0.654514D+00  0.335662D+00
      3   0.587051D+01  0.508806D+00  0.244290D+00 -0.105792D+01  0.462057D+00
               121           122           123           124           125 
      1  -0.119028D+01 -0.191328D+01  0.399556D+00 -0.539296D+00  0.436289D+01
      2   0.122464D+01  0.124459D+00 -0.172411D+01 -0.393538D+01 -0.918166D+00
      3   0.240677D+01  0.456620D+00 -0.488921D+00  0.581121D+00 -0.100538D+01
               126           127           128           129           130 
      1  -0.387658D+01  0.218044D+01 -0.151558D+01  0.240592D+01 -0.116438D+01
      2   0.672762D+01 -0.115459D+01  0.120408D+01 -0.549148D-01  0.161956D+01
      3   0.112031D+01 -0.250415D+01  0.109892D+01 -0.281290D+01  0.237619D+01
               131           132           133           134           135 
      1   0.501239D+01 -0.702395D+01  0.971427D+00 -0.590386D+01  0.115616D+02
      2  -0.297776D+01  0.304512D+01 -0.191026D+01  0.480242D+01 -0.588134D+01
      3  -0.875376D+01  0.412721D+01 -0.493032D+01  0.677438D+01 -0.645567D+01
               136           137           138           139           140 
      1  -0.154443D+01 -0.586028D+00  0.323137D+00 -0.582203D+00 -0.253458D+01
      2   0.185422D+01 -0.752375D-01  0.375431D+00  0.202207D-01  0.549724D+01
      3  -0.152942D+01  0.395990D+00  0.129900D+01  0.193012D+01 -0.116968D+02
               141           142           143           144           145 
      1  -0.663074D+01  0.330996D-01 -0.461071D+01 -0.794873D+01 -0.149730D+01
      2   0.464614D+01 -0.246237D+01  0.683534D+01  0.672802D+01 -0.414591D+01
      3  -0.552528D+01  0.288056D+01 -0.819281D+01 -0.749625D+01 -0.710426D+00
               146           147           148           149           150 
      1   0.248157D+01 -0.786288D+00  0.214890D+01 -0.133648D+02  0.436277D+01
      2   0.180156D+01 -0.194637D+01  0.364585D+01 -0.686189D+01  0.704593D+01
      3   0.456892D+00 -0.417534D-01  0.290663D+01 -0.706034D+01  0.393509D+01
               151           152           153           154           155 
      1  -0.731270D+00  0.701204D+01 -0.500400D+01  0.219216D+01 -0.329986D+01
      2  -0.361523D+01  0.479481D+01 -0.580316D+01  0.509274D+01 -0.156647D+01
      3  -0.749045D+00  0.314154D+01 -0.336150D+01  0.484604D+00 -0.392779D+01
               156           157           158           159           160 
      1   0.746450D+00 -0.189792D+01  0.203497D+01  0.790894D+00 -0.641139D+00
      2   0.352646D+01 -0.274778D+01 -0.117909D+01 -0.138676D+01 -0.227585D+01
      3  -0.702344D+00 -0.511772D+00  0.301085D+01  0.257611D+01  0.319372D+00
               161           162           163           164           165 
      1   0.298375D+01 -0.407574D+00  0.294700D+01  0.469892D+01 -0.732479D+00
      2  -0.310167D-01 -0.158774D+01 -0.129458D+02 -0.723544D+01 -0.533726D+01
      3   0.221005D+01  0.477581D+00  0.893624D+01  0.484533D+01  0.334667D+01
               166           167           168           169           170 
      1   0.290049D+01  0.456209D+01  0.369324D+00  0.147478D+00  0.284441D+01
      2  -0.692772D+01 -0.795387D+01 -0.382508D+01 -0.496110D+01 -0.314650D+01
      3   0.692727D+01  0.629744D+01  0.419699D+01  0.157002D+01  0.186217D+01
               171           172           173           174           175 
      1   0.637198D+00 -0.260183D+01 -0.189972D+01 -0.328743D+01 -0.144067D+01
      2  -0.409793D+01  0.129839D+01  0.203520D+01  0.201401D-01  0.150480D+01
      3   0.286171D+01  0.159477D+02  0.148378D+02  0.818136D+00  0.116822D+02
               176           177           178           179           180 
      1  -0.386118D+01 -0.368543D+01 -0.897058D+00 -0.104709D+01  0.759621D-01
      2   0.116923D+01 -0.470795D+00 -0.123406D+01 -0.183194D+01  0.833235D+00
      3   0.184226D+02  0.730030D+00  0.180738D+01  0.257561D+01  0.305526D+01
               181           182           183           184           185 
      1  -0.542499D+01  0.292221D+01  0.491586D+01  0.328749D+01 -0.352748D+01
      2  -0.705961D+01  0.393916D+01  0.703553D+01  0.313111D+01 -0.363532D+01
      3  -0.351422D+01 -0.266215D+01  0.139835D+01  0.213416D+01  0.410736D+01
               186           187           188           189           190 
      1  -0.304399D+01  0.376964D+01 -0.144084D+01 -0.203944D+01  0.140782D+01
      2  -0.268540D+01  0.452898D+01 -0.275853D+01 -0.288974D+01  0.154395D+01
      3   0.677461D+00  0.761428D+00  0.334939D+01 -0.582715D+00  0.492219D+00
               191           192           193           194           195 
      1   0.200692D+00  0.233503D+01 -0.154435D+00  0.214651D+01  0.374824D+00
      2   0.296865D+00  0.262017D+01  0.170603D+00  0.181504D+01  0.102143D+01
      3   0.445529D+00 -0.164145D+01  0.115559D+01 -0.353658D+00 -0.176112D+01
               196           197           198           199           200 
      1   0.368732D+01  0.264083D+01  0.180471D+02  0.100334D-01  0.535048D+00
      2   0.651421D+00 -0.240358D+01  0.196687D+02 -0.513103D+00 -0.468653D+00
      3  -0.198141D+01 -0.398700D+01  0.382333D+00  0.112396D+01 -0.902803D-01
               201           202           203           204           205 
      1  -0.253830D+00  0.540839D+01  0.535466D-02 -0.158984D+01  0.109480D+01
      2  -0.576746D+00  0.164407D+01  0.167799D+01  0.518051D-01 -0.417528D+01
      3  -0.591139D+00  0.137121D+01  0.497689D+00 -0.860420D+00 -0.223487D+01
               206           207           208           209           210 
      1   0.262076D+01  0.400724D+01 -0.169615D+01  0.118223D-01  0.375407D-01
      2   0.666581D+00  0.333156D+01 -0.149655D+01  0.501338D+00 -0.969482D+00
      3  -0.141508D+01  0.315071D+00 -0.314887D+01 -0.785998D+00 -0.156629D-01
               211           212           213           214           215 
      1   0.658841D+01 -0.628134D+00 -0.161193D+00  0.241670D+01  0.445336D+01
      2  -0.167067D+01 -0.211364D+01  0.310017D+01 -0.338619D+01  0.283262D+01
      3   0.103697D+02 -0.184116D+00  0.196206D+01  0.351437D+01  0.329140D+01
               216           217           218           219           220 
      1  -0.305511D+00  0.365046D+00 -0.580754D+00 -0.753354D+00 -0.234215D+01
      2  -0.106347D+02 -0.435440D+00  0.146340D+01  0.404361D+01  0.415585D+01
      3  -0.359758D+01  0.189129D+01 -0.270426D+01 -0.199422D+01 -0.741950D+01
               221           222           223           224           225 
      1   0.299230D+01  0.272413D+01 -0.263748D+01  0.450233D+01  0.512674D+01
      2  -0.901359D+01 -0.122626D+02  0.907866D+01 -0.767451D+01 -0.268168D+02
      3   0.685986D+01  0.117569D+02 -0.461030D+01  0.967194D+01  0.110022D+02
               226           227           228           229           230 
      1  -0.157337D+01 -0.797045D-01 -0.108215D+01 -0.854305D+00 -0.379838D+00
      2   0.168832D+02  0.889069D+00  0.113372D+02  0.287705D+00  0.103759D+01
      3   0.320958D+01 -0.638088D+01  0.515566D+00 -0.349862D+01 -0.925343D+00
               231           232           233           234           235 
      1  -0.517551D+00 -0.127364D+01  0.857989D+00 -0.757085D+00  0.223246D+00
      2  -0.120785D+01  0.105768D+02 -0.357461D+00  0.941570D+01  0.669565D+00
      3  -0.753432D+00  0.350941D+00 -0.337433D+01  0.125524D+01 -0.310511D+00
               236           237           238           239           240 
      1   0.745929D+00 -0.259078D+00 -0.195174D+01 -0.601481D+01 -0.319831D+00
      2   0.196573D+01  0.571602D+00  0.972099D+00 -0.957372D+01  0.698399D+01
      3   0.378807D+01 -0.250734D+01 -0.634502D+01 -0.356642D+02  0.128157D+02
               241           242           243 
      1  -0.693660D-01  0.197221D+01  0.724825D-01
      2   0.314476D+01  0.611454D+01 -0.797205D+01
      3   0.583550D+00  0.900857D+01 -0.680657D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.749114D+00  0.188445D+02  0.182928D+02  0.173179D+02  0.131281D+02
      2   0.284951D+01 -0.157347D+02 -0.133811D+02 -0.145090D+02  0.454895D+01
      3  -0.359862D+01 -0.310987D+01 -0.491170D+01 -0.280891D+01 -0.176771D+02
      4   0.206919D+02 -0.305268D+01 -0.126417D+02 -0.138804D+01 -0.100166D+02
      5   0.267808D+02 -0.186459D+02 -0.207528D+02 -0.197370D+02  0.108041D+02
      6  -0.188906D+02 -0.503775D+01  0.559747D+01 -0.323469D+01  0.153104D+01
                 6             7             8             9            10 
      1  -0.507785D+01  0.130507D+02 -0.566597D+01 -0.141984D+02 -0.179265D+02
      2  -0.321213D+01 -0.863050D+01 -0.386693D+01 -0.150043D+01  0.210631D+02
      3   0.828998D+01 -0.442024D+01  0.953290D+01  0.156988D+02 -0.313664D+01
      4   0.157034D+02 -0.122838D+02  0.134382D+02  0.854087D+00 -0.374852D+02
      5  -0.736943D+00 -0.187823D+02  0.963866D+00 -0.739796D+01 -0.137752D+02
      6  -0.129294D+02  0.502584D+01 -0.119122D+02  0.797260D+01  0.605024D+01
                11            12            13            14            15 
      1  -0.233925D+02 -0.891067D+01 -0.284686D+02 -0.250157D+02 -0.492955D+01
      2   0.153228D+02  0.420976D+01  0.178215D+02  0.811954D+01  0.689702D+01
      3   0.806977D+01  0.470091D+01  0.106471D+02  0.168962D+02 -0.196747D+01
      4   0.284458D+00  0.511236D+01 -0.250007D+01 -0.484371D+01 -0.162022D+02
      5   0.332857D+01  0.107823D+02  0.551174D+01 -0.137176D+02  0.141447D+01
      6  -0.393042D+01 -0.113045D+01 -0.243023D+01  0.123146D+02  0.475086D+00
                16            17            18            19            20 
      1  -0.981988D+00 -0.337376D+01  0.129960D+02  0.614255D+02  0.101830D+02
      2  -0.841117D+01  0.978159D+01 -0.548236D+01 -0.617962D+02 -0.123002D+02
      3   0.939316D+01 -0.640783D+01 -0.751365D+01  0.370707D+00  0.211717D+01
      4   0.878356D+01 -0.207243D+02 -0.233103D+01  0.615029D+01 -0.168147D+02
      5   0.120160D+02 -0.779215D+00  0.205157D+02 -0.767352D+01 -0.435177D+01
      6  -0.272486D+01 -0.162503D+01 -0.100225D+02 -0.131248D+02 -0.431974D+01
                21            22            23            24            25 
      1   0.295842D+01  0.123698D+02  0.980032D+01 -0.197180D+01  0.391006D+01
      2  -0.433148D+01 -0.160140D+02 -0.117237D+02 -0.333270D+01  0.516234D+00
      3   0.137305D+01  0.364424D+01  0.192335D+01  0.530450D+01 -0.442629D+01
      4  -0.436655D+01 -0.320058D+02 -0.447475D+01  0.454270D+01 -0.864624D+01
      5   0.287657D+00 -0.869269D+01  0.479302D+00  0.689284D+01 -0.350757D+01
      6  -0.699048D+00 -0.761641D+01 -0.383738D+01  0.147768D+01 -0.135390D+01
                26            27            28            29            30 
      1  -0.229999D+01  0.744729D+01 -0.129424D+03 -0.660487D+01 -0.446091D+01
      2  -0.396943D+01  0.119955D+02  0.959398D+02  0.509373D+01  0.247529D+01
      3   0.626942D+01 -0.194428D+02  0.334840D+02  0.151113D+01  0.198562D+01
      4   0.792113D+01  0.562974D+01  0.333430D+01 -0.111492D+02 -0.211410D+01
      5   0.390087D+01 -0.737791D+01  0.744443D+01 -0.186920D+01 -0.112949D+02
      6   0.479462D+01  0.234437D+01  0.164997D+02  0.620882D+01  0.175646D+01
                31            32            33            34            35 
      1  -0.318089D+02 -0.255222D+02 -0.777030D+01  0.284485D+02 -0.362753D+01
      2   0.269811D+02  0.241884D+02  0.462851D+01 -0.163485D+02  0.419006D+01
      3   0.482771D+01  0.133379D+01  0.314179D+01 -0.121000D+02 -0.562533D+00
      4  -0.794923D+01 -0.900993D+01 -0.252068D+01 -0.113076D+01  0.122127D+00
      5  -0.306497D+00 -0.887344D+00 -0.265945D+01  0.101503D+01  0.207126D+01
      6   0.252330D+01  0.742306D+01  0.464769D+01 -0.411147D+00 -0.102569D+01
                36            37            38            39            40 
      1  -0.369171D+01  0.157065D+03  0.106936D+02  0.891142D+01  0.340827D+02
      2  -0.190415D+01 -0.111170D+03 -0.675219D+01 -0.607477D+01 -0.179929D+02
      3   0.559586D+01 -0.458950D+02 -0.394142D+01 -0.283665D+01 -0.160898D+02
      4   0.264421D+01 -0.592209D+01  0.185523D+02  0.183828D+01  0.296681D+02
      5  -0.205879D+01  0.111662D+02  0.331998D+01  0.198344D+02  0.587867D+01
      6   0.515958D+01 -0.179181D+02 -0.565178D+01 -0.332012D+01 -0.114702D+02
                41            42            43            44            45 
      1   0.273533D+01 -0.317254D+01 -0.333293D+02 -0.934900D+01  0.129112D+02
      2   0.445484D+01 -0.283512D+01  0.211263D+02  0.376781D+01 -0.141884D+01
      3  -0.719017D+01  0.600766D+01  0.122030D+02  0.558118D+01 -0.114923D+02
      4   0.673317D+01 -0.260958D+01  0.229982D+01 -0.449811D+01 -0.741925D+01
      5  -0.200294D+01 -0.477200D+01  0.263675D+02 -0.537553D+01  0.760043D+01
      6  -0.722816D+00  0.434337D+01 -0.244527D+01  0.405805D+01  0.667253D+01
                46            47            48            49            50 
      1  -0.703286D+02 -0.513416D+01  0.746385D+01 -0.461172D+00 -0.401589D+01
      2   0.508944D+02 -0.212946D+01 -0.101368D+01 -0.541451D+01  0.656750D+01
      3   0.194342D+02  0.726362D+01 -0.645017D+01  0.587568D+01 -0.255162D+01
      4  -0.529930D+01 -0.168625D+02  0.469357D+01 -0.113547D+01  0.211167D+01
      5  -0.442443D+01  0.169974D+01 -0.169870D+02  0.236621D+02 -0.590355D+01
      6   0.131708D+02  0.175046D+01 -0.497862D+00 -0.208600D+01  0.460971D+01
                51            52            53            54            55 
      1   0.839934D+01 -0.364960D+02  0.546872D+01 -0.158518D+02  0.296804D+02
      2  -0.100592D+02  0.386689D+02  0.252105D+00  0.196849D+02 -0.179239D+02
      3   0.165984D+01 -0.217285D+01 -0.572083D+01 -0.383307D+01 -0.117566D+02
      4  -0.753736D+01  0.263920D+02 -0.523023D+01  0.980673D+01 -0.834783D+01
      5   0.699904D+01 -0.582078D+02  0.523042D+01 -0.413572D+02  0.215640D+02
      6   0.339443D+01  0.130226D+02 -0.601154D+01  0.736874D+01 -0.244735D+01
                56            57            58            59            60 
      1  -0.404950D+01  0.120238D+02 -0.221266D+02 -0.673341D+00 -0.259104D+01
      2   0.336175D+01 -0.808767D+01  0.141843D+02  0.147155D+01  0.294081D+01
      3   0.687750D+00 -0.393618D+01  0.794231D+01 -0.798206D+00 -0.349765D+00
      4   0.131142D+02 -0.512759D+01  0.225996D+02 -0.156571D+02  0.212248D+02
      5  -0.417530D+01  0.214705D+02 -0.180432D+02  0.206368D+02 -0.118346D+02
      6   0.176201D+01 -0.146985D+01  0.105772D+02 -0.873661D+01  0.133678D+02
                61            62            63            64            65 
      1   0.629100D+02  0.279539D+01  0.101486D+01 -0.355221D+01  0.379878D+02
      2  -0.507615D+02 -0.203644D+01 -0.303892D+02 -0.200522D+02 -0.261155D+02
      3  -0.121485D+02 -0.758954D+00  0.293744D+02  0.236044D+02 -0.118722D+02
      4  -0.150032D+02  0.155880D+02 -0.154431D+02  0.374019D+02 -0.203159D+02
      5   0.648985D+02 -0.100477D+02  0.746180D+02  0.906021D+01 -0.281770D+01
      6  -0.115076D+02  0.144758D+02 -0.954147D+01 -0.790723D+01  0.685315D+01
                66            67            68            69            70 
      1   0.109806D+02  0.334656D+02  0.516152D+01 -0.216060D+00  0.119197D+02
      2  -0.293378D+00 -0.211866D+02 -0.576914D+01 -0.710135D+01  0.479659D+01
      3  -0.106872D+02 -0.122790D+02  0.607613D+00  0.731741D+01 -0.167163D+02
      4  -0.132868D+02 -0.152919D+02 -0.641746D+01  0.153326D+02 -0.193173D+02
      5  -0.475896D+01 -0.405473D+01  0.149885D+02 -0.635712D+01 -0.678925D+01
      6   0.427837D+01  0.815852D+01 -0.131251D+02  0.501481D+01  0.579496D+01
                71            72            73            74            75 
      1  -0.279203D+01 -0.335569D+01 -0.107319D+02 -0.113198D+02  0.393828D+01
      2  -0.957078D+01  0.177101D+02  0.677536D+01  0.894789D+01  0.483646D+01
      3   0.123628D+02 -0.143544D+02  0.395651D+01  0.237195D+01 -0.877474D+01
      4   0.188684D+02  0.392039D+01 -0.935802D+01  0.112989D+02  0.119946D+02
      5  -0.825126D+00 -0.343720D+02  0.112046D+02  0.114415D+02 -0.278258D+02
      6   0.547535D+01  0.198056D+02  0.310973D+01  0.821512D+01 -0.342565D+01
                76            77            78            79            80 
      1  -0.135760D+02  0.325265D+02  0.190974D+02  0.113141D+02  0.196108D+02
      2   0.107913D+02 -0.155836D+02 -0.103834D+02  0.321608D+01 -0.116422D+02
      3   0.278464D+01 -0.169429D+02 -0.871392D+01 -0.145302D+02 -0.796864D+01
      4   0.234984D+02  0.205620D+02  0.940745D+01  0.215685D+02  0.134302D+02
      5   0.190349D+02  0.705344D+01  0.331792D+01 -0.408498D+02 -0.304994D+00
      6   0.697316D+01  0.150487D+01  0.383023D+00 -0.601203D+01  0.212657D+01
                81            82            83            84            85 
      1  -0.337638D+02 -0.394442D+02  0.671351D+01  0.577520D+01  0.111500D+02
      2   0.254093D+02  0.429984D+02  0.516400D+01 -0.659060D+01  0.330751D+01
      3   0.835441D+01 -0.355416D+01 -0.118775D+02  0.815399D+00 -0.144575D+02
      4  -0.536875D+01  0.231704D+02  0.183114D+02 -0.130631D+01  0.234907D+02
      5  -0.161078D+02  0.520118D+01  0.357544D+00  0.226971D+01 -0.103100D+01
      6   0.223277D+01  0.108557D+02 -0.241104D+01  0.279713D+01 -0.135017D+01
                86            87            88            89            90 
      1   0.879202D+01 -0.487284D+00  0.192877D+02  0.381054D+01  0.250973D+02
      2  -0.275647D+01  0.133502D+01 -0.198293D+02 -0.345582D+01 -0.271302D+02
      3  -0.603555D+01 -0.847736D+00  0.541603D+00 -0.354718D+00  0.203294D+01
      4  -0.110492D+01 -0.832265D+01 -0.676167D+01 -0.134961D+02 -0.128032D+02
      5  -0.359445D+01 -0.117970D+02  0.283197D+01 -0.163873D+02  0.217643D+01
      6  -0.107831D+02 -0.212599D+02 -0.174418D+01 -0.319145D+02 -0.517992D+01
                91            92            93            94            95 
      1  -0.196493D+02  0.818505D+01 -0.404132D+02  0.211429D+02  0.139134D+02
      2   0.808287D+01 -0.181622D+01  0.189270D+02 -0.162238D+02 -0.126333D+02
      3   0.115665D+02 -0.636883D+01  0.214862D+02 -0.491909D+01 -0.128008D+01
      4   0.142882D+02  0.138377D+02 -0.116567D+02 -0.293361D+01 -0.328730D+02
      5  -0.463544D+02 -0.108236D+02 -0.266527D+01 -0.129893D+02  0.262582D+02
      6  -0.668900D+01 -0.455615D+01  0.239434D+01  0.250204D+01  0.103459D+02
                96            97            98            99           100 
      1  -0.100650D+02 -0.609672D+02 -0.103342D+02 -0.178215D+02  0.367849D+02
      2   0.165747D+02  0.283132D+02  0.129028D+02  0.151542D+02 -0.243558D+02
      3  -0.650968D+01  0.326540D+02 -0.256865D+01  0.266728D+01 -0.124291D+02
      4   0.285698D+02 -0.135851D+02  0.218217D+02  0.132005D+02  0.615009D+01
      5   0.197352D+02 -0.218270D+02  0.135022D+02  0.311226D+02  0.257619D+02
      6  -0.831898D+01  0.355941D+01 -0.471706D+01 -0.606838D+01  0.191653D+01
               101           102           103           104           105 
      1   0.159559D+01  0.171800D+02 -0.504760D+01  0.118906D+01 -0.504427D+01
      2  -0.378493D+00 -0.132795D+02  0.394934D+01 -0.167049D+01  0.418848D+01
      3  -0.121709D+01 -0.390050D+01  0.109826D+01  0.481431D+00  0.855791D+00
      4   0.527822D+01  0.108822D+01  0.645307D+01 -0.311838D+01  0.550931D+01
      5  -0.998489D+00  0.240678D+02 -0.621547D+01  0.656577D+01 -0.512619D+01
      6   0.121271D+01  0.268530D+01  0.222833D+01 -0.240362D+00  0.407987D+01
               106           107           108           109           110 
      1   0.274309D+02 -0.236256D+01  0.197264D+02  0.609479D+02  0.139889D+02
      2  -0.230287D+02  0.288746D+01 -0.238382D+02 -0.306144D+02 -0.506313D+01
      3  -0.440220D+01 -0.524907D+00  0.411177D+01 -0.303335D+02 -0.892573D+01
      4   0.245023D+01  0.894573D+01  0.405385D+01  0.263631D+02  0.137246D+02
      5   0.378329D+02  0.773849D+00  0.417379D+02 -0.233393D+02 -0.671754D+01
      6   0.416801D+01  0.416552D+01  0.536609D+01 -0.678072D+01 -0.326011D+01
               111           112           113           114           115 
      1  -0.184448D+02  0.123760D+02  0.469967D+01 -0.508680D+01 -0.353160D+02
      2   0.921577D+01 -0.364903D+01  0.187452D+01  0.158602D+01  0.185898D+02
      3   0.922899D+01 -0.872697D+01 -0.657419D+01  0.350078D+01  0.167261D+02
      4  -0.953027D+01  0.162533D+02  0.107987D+02 -0.833201D+01 -0.180499D+02
      5   0.199041D+02 -0.716822D+01 -0.737939D+01  0.452150D+01  0.306678D+02
      6   0.436198D+01 -0.414091D+01 -0.270688D+01  0.390501D+01  0.798062D+01
               116           117           118           119           120 
      1  -0.869403D+01  0.201680D+02  0.106697D+01 -0.406886D+00  0.251660D+01
      2   0.286279D+01 -0.145751D+02 -0.415214D+01  0.263958D+00  0.247045D+00
      3   0.583124D+01 -0.559297D+01  0.308517D+01  0.142928D+00 -0.276365D+01
      4  -0.143718D+02  0.108061D+02 -0.155233D+01  0.287200D+01  0.551884D+00
      5   0.746754D+01 -0.221485D+02  0.105954D+01 -0.279365D+00  0.606659D+01
      6   0.454441D+01 -0.684717D+01 -0.476220D+00 -0.122457D+00 -0.126451D-01
               121           122           123           124           125 
      1   0.731271D+00 -0.556893D+01  0.450947D+01  0.761384D+00  0.227002D+01
      2   0.205460D+00  0.125351D+01  0.538010D+00 -0.529347D+00  0.223168D+01
      3  -0.936731D+00  0.431542D+01 -0.504748D+01 -0.232037D+00 -0.450170D+01
      4   0.270788D+01 -0.136950D+01  0.140010D+01  0.309691D+00  0.382311D+01
      5  -0.551565D+00  0.105977D+01 -0.299937D+01  0.542090D+01 -0.174335D+01
      6  -0.185556D+00 -0.258846D+01  0.620763D+01 -0.740865D-01  0.464617D+01
               126           127           128           129           130 
      1  -0.221099D+02 -0.461132D+00  0.604221D+01 -0.405674D+01  0.365720D+01
      2  -0.122608D+02  0.656436D+00 -0.783143D+01  0.377559D+01 -0.364522D+01
      3   0.343707D+02 -0.195304D+00  0.178922D+01  0.281154D+00 -0.119790D-01
      4  -0.299379D+01 -0.142807D+01  0.130623D+01 -0.229280D+01  0.318288D+01
      5   0.115053D+02 -0.117593D+01  0.920416D-01  0.217694D+00 -0.490038D-01
      6  -0.223656D+00 -0.484889D+01  0.256924D+01 -0.305744D+01  0.912507D+00
               131           132           133           134           135 
      1  -0.197764D+02  0.801753D+01 -0.707446D+01  0.146202D+02 -0.160200D+02
      2   0.275957D+02 -0.109942D+02  0.455621D+01 -0.197988D+02  0.149644D+02
      3  -0.781922D+01  0.297669D+01  0.251824D+01  0.517861D+01  0.105560D+01
      4   0.105773D+02 -0.398621D+01 -0.493950D+01 -0.803856D+01  0.625746D+01
      5  -0.560827D+01  0.621730D+01  0.479622D+00  0.889270D+01 -0.109934D+02
      6  -0.994532D+01  0.124711D+02 -0.669144D+00  0.169019D+02 -0.159940D+02
               136           137           138           139           140 
      1   0.486208D+01  0.571429D+01  0.335528D+01  0.246835D+01 -0.280942D+02
      2  -0.354979D+01 -0.401989D+01 -0.129434D+01 -0.967613D-01  0.351056D+02
      3  -0.131229D+01 -0.169440D+01 -0.206093D+01 -0.237158D+01 -0.701134D+01
      4   0.452929D+01  0.644850D+01  0.468575D+01  0.877052D+01  0.234315D+02
      5   0.261667D+01  0.350076D+01  0.434226D+01  0.396687D+01  0.122034D+02
      6   0.439517D+01 -0.301898D+00 -0.713149D+00  0.391764D+01  0.279604D+02
               141           142           143           144           145 
      1  -0.138266D+02 -0.116254D+01 -0.230208D+02 -0.220972D+02 -0.210901D+01
      2   0.141441D+02  0.342566D+01  0.213154D+02  0.131298D+02 -0.129083D+01
      3  -0.317543D+00 -0.226312D+01  0.170537D+01  0.896738D+01  0.339984D+01
      4   0.120097D+02  0.100977D+02  0.188053D+02  0.142201D+02  0.740915D+00
      5   0.974296D+01  0.716150D+01  0.156011D+02  0.144671D+02 -0.320512D+01
      6   0.215129D+02  0.533502D+01  0.310612D+02  0.272261D+02 -0.858965D+00
               146           147           148           149           150 
      1   0.145273D+01 -0.609830D+01  0.253181D+01 -0.955101D+01  0.995754D+01
      2   0.108064D+01  0.106240D+01 -0.607354D+00 -0.107806D+01  0.706023D+01
      3  -0.253337D+01  0.503590D+01 -0.192446D+01  0.106291D+02 -0.170178D+02
      4   0.311407D+00  0.136510D+01  0.363182D+00  0.159415D+02 -0.919483D+01
      5  -0.207142D+00  0.382943D+01 -0.266427D+01 -0.722580D+01  0.110183D+02
      6   0.286247D+01 -0.170009D+01  0.173685D+01 -0.164993D+02  0.112001D+02
               151           152           153           154           155 
      1  -0.358519D+01  0.713225D+01 -0.105431D+02  0.285326D+02 -0.741450D+01
      2   0.116895D+01  0.466121D+01 -0.778408D+01 -0.205125D+02  0.413130D+01
      3   0.241624D+01 -0.117935D+02  0.183271D+02 -0.802015D+01  0.328320D+01
      4   0.895426D+00 -0.712169D+01  0.702368D+01 -0.217612D+02  0.146517D+02
      5   0.482961D+01  0.555245D+01 -0.856790D+01 -0.384995D+02  0.144024D+02
      6  -0.148694D+01  0.110185D+02 -0.920200D+01  0.124694D+02 -0.875501D+01
               156           157           158           159           160 
      1  -0.921121D+01 -0.713932D+01  0.860158D+00  0.114653D+00 -0.626054D+01
      2   0.147316D+02  0.405089D+01 -0.323026D+00 -0.223193D+01  0.112465D+02
      3  -0.552040D+01  0.308843D+01 -0.537132D+00  0.211727D+01 -0.498592D+01
      4   0.121735D+02  0.138482D+02 -0.113055D+02 -0.103536D+02  0.839579D+01
      5   0.305714D+02  0.138212D+02 -0.115918D+02 -0.112081D+02  0.223971D+02
      6  -0.993492D+01 -0.797629D+01  0.845710D+01  0.100083D+02 -0.749166D+01
               161           162           163           164           165 
      1   0.113236D+00  0.258787D+01 -0.120608D+02 -0.133937D+02 -0.131157D+02
      2  -0.188000D+01 -0.112024D+02  0.595213D+01  0.930417D+01  0.191190D+01
      3   0.176677D+01  0.861450D+01  0.610866D+01  0.408950D+01  0.112038D+02
      4  -0.636747D+01 -0.865341D+01  0.143420D+01 -0.465284D+00  0.830667D+00
      5  -0.856331D+01 -0.219685D+02  0.644822D+01  0.499700D+01  0.192981D+01
      6   0.746231D+01  0.858309D+01  0.939402D+01  0.105399D+02  0.748545D+01
               166           167           168           169           170 
      1  -0.107348D+02 -0.171574D+02 -0.921512D+01 -0.660262D+01 -0.531564D+01
      2   0.788203D+01  0.127228D+02  0.279011D+01  0.866936D+00  0.104776D+01
      3   0.285272D+01  0.443467D+01  0.642501D+01  0.573569D+01  0.426788D+01
      4   0.163523D+01 -0.276362D+01 -0.373571D+01  0.148156D+01 -0.190860D+01
      5   0.688713D+01  0.473129D+00 -0.154663D+01  0.457650D+01  0.353414D+00
      6   0.676182D+01  0.132306D+02  0.112988D+02  0.403893D+01  0.789805D+01
               171           172           173           174           175 
      1  -0.807770D+01 -0.148975D+02 -0.254324D+02 -0.127381D+01 -0.164287D+02
      2   0.142317D+00  0.168915D+02  0.291517D+02  0.110141D+01  0.164729D+02
      3   0.793538D+01 -0.199400D+01 -0.371923D+01  0.172401D+00 -0.442121D-01
      4  -0.351313D+00  0.462021D+01  0.375209D+00  0.252114D+01  0.612632D+01
      5   0.744349D+00 -0.480071D+01 -0.171515D+01 -0.175259D+01 -0.240077D+01
      6   0.595620D+01  0.188632D+00 -0.355870D+01  0.539198D+01 -0.149851D+01
               176           177           178           179           180 
      1  -0.283977D+02 -0.783395D+00 -0.349997D+01 -0.255631D+01 -0.527634D+01
      2   0.390396D+02  0.213301D+01  0.157292D+01  0.569611D+01  0.344843D+01
      3  -0.106419D+02 -0.134961D+01  0.192705D+01 -0.313981D+01  0.182792D+01
      4  -0.782756D+01 -0.820612D+00  0.313220D+01 -0.372285D+01 -0.540943D+00
      5  -0.350841D+01 -0.184705D+01  0.217692D+00 -0.204841D+01  0.183879D+01
      6  -0.278398D+01  0.525061D+01  0.246243D+01  0.551013D+01 -0.699734D+00
               181           182           183           184           185 
      1   0.447565D+02 -0.185207D+02 -0.792772D+01 -0.147891D+02  0.539898D+01
      2  -0.801730D+01 -0.321715D+01  0.135913D+01 -0.269442D+01  0.119745D+02
      3  -0.367392D+02  0.217378D+02  0.656859D+01  0.174835D+02 -0.173734D+02
      4  -0.511745D+02  0.360027D+02  0.788301D+01  0.293533D+02 -0.269794D+02
      5  -0.372188D+01  0.114015D+01  0.992114D+01  0.153169D+01 -0.319782D+01
      6   0.382772D+01 -0.174985D+01 -0.715428D+01 -0.182284D+01  0.251745D+01
               186           187           188           189           190 
      1   0.110446D+01 -0.123954D+02  0.300927D+01  0.580253D+01  0.395640D+01
      2   0.269884D+01  0.700118D+00  0.539596D+01 -0.259239D+01 -0.239339D+01
      3  -0.380330D+01  0.116953D+02 -0.840522D+01 -0.321015D+01 -0.156302D+01
      4  -0.639159D+01  0.169811D+02 -0.152078D+02 -0.961898D+01 -0.663706D+01
      5  -0.310897D+01  0.991400D+01 -0.566861D+01 -0.436575D+01  0.711556D+01
      6   0.391048D+01 -0.740808D+01  0.475022D+01  0.340999D+01 -0.304672D+01
               191           192           193           194           195 
      1  -0.430197D+01  0.435223D+01 -0.585203D+00 -0.233396D+01  0.254748D+01
      2   0.243964D+01 -0.468733D+01 -0.367626D-01 -0.723181D-01 -0.433651D+01
      3   0.186233D+01  0.335101D+00  0.621966D+00  0.240628D+01  0.178903D+01
      4   0.469568D+01 -0.266538D+01  0.243763D+01  0.112214D+01  0.337755D+01
      5  -0.111489D+01  0.104309D+02  0.124662D+01  0.353335D+01  0.227717D+01
      6   0.466756D+00 -0.371927D+01  0.324205D+00 -0.161665D+01  0.482836D+01
               196           197           198           199           200 
      1   0.386856D+01  0.471330D+01 -0.990526D+01 -0.153426D+01 -0.860448D+00
      2  -0.626212D+01 -0.469732D+01 -0.174600D+02  0.158805D+01  0.704552D+00
      3   0.239356D+01 -0.159817D-01  0.273652D+02 -0.537896D-01  0.155896D+00
      4  -0.567838D+01  0.820374D+01 -0.881095D+01 -0.193499D+00  0.133458D+01
      5   0.155965D+02 -0.631219D+01  0.436246D+02  0.390199D+00 -0.497033D+00
      6  -0.744653D+01  0.986940D+01 -0.301456D+02 -0.666229D+00  0.171794D+00
               201           202           203           204           205 
      1   0.112016D+01 -0.158085D+01 -0.207014D+01  0.509176D+01  0.525421D+01
      2  -0.693865D+00 -0.230865D+01  0.132527D+01 -0.270727D+01 -0.269059D+01
      3  -0.426295D+00  0.388951D+01  0.744874D+00 -0.238449D+01 -0.256362D+01
      4  -0.723411D+00  0.759925D+00 -0.138962D+01  0.201774D+01 -0.456133D+00
      5   0.240237D+01 -0.639954D+00  0.115869D+01 -0.810649D+00  0.167366D+01
      6   0.922556D-01  0.108684D+01 -0.370752D+01  0.373834D+01  0.701169D+00
               206           207           208           209           210 
      1   0.613899D+01 -0.126349D+02  0.206774D+01  0.252477D+01 -0.593705D+01
      2  -0.435274D+01  0.106466D+01 -0.317449D+01 -0.139938D+01  0.231425D+01
      3  -0.178625D+01  0.115702D+02  0.110676D+01 -0.112539D+01  0.362279D+01
      4   0.201279D+01 -0.306716D+01  0.275918D+01  0.136963D+01 -0.156395D+01
      5  -0.188796D+01  0.433823D+01 -0.543274D+01 -0.174178D+01  0.423167D+01
      6   0.497574D+01 -0.722713D+01 -0.196535D+01  0.201489D+00  0.443332D+00
               211           212           213           214           215 
      1   0.240839D+01 -0.435554D+01  0.442760D+01 -0.239822D+01  0.478969D+01
      2  -0.427262D+01  0.689836D+00  0.157772D+01  0.350922D+01  0.179372D+00
      3   0.186423D+01  0.366571D+01 -0.600533D+01 -0.111100D+01 -0.496906D+01
      4  -0.194226D+01  0.183621D+01 -0.266344D+01 -0.359977D+01 -0.356496D+01
      5  -0.509541D+01 -0.371248D+01  0.695057D+01  0.724555D+01  0.578671D+01
      6   0.137343D+01 -0.326848D+01  0.439624D+01  0.247309D+01  0.621800D+01
               216           217           218           219           220 
      1  -0.189219D+02  0.160470D+02 -0.684609D+01 -0.717232D+01 -0.182466D+02
      2  -0.733898D+01 -0.115435D+02  0.418359D+01  0.570842D+01  0.119821D+02
      3   0.262609D+02 -0.450352D+01  0.266249D+01  0.146390D+01  0.626449D+01
      4   0.448988D+01 -0.755741D+01  0.356264D+01  0.535080D+01  0.120536D+02
      5  -0.209467D+02 -0.895753D+01  0.616268D+01  0.120952D+02  0.156079D+02
      6  -0.657799D+01  0.278638D+01 -0.442180D+00 -0.758727D+00 -0.412323D+01
               221           222           223           224           225 
      1   0.110679D+01  0.496011D+01 -0.210627D+02 -0.174261D+00  0.891939D+01
      2  -0.155184D+01 -0.964747D+01  0.169472D+02 -0.526279D+01 -0.227115D+02
      3   0.445055D+00  0.468737D+01  0.411553D+01  0.543705D+01  0.137921D+02
      4  -0.136597D+02 -0.202156D+02  0.491400D+01 -0.192110D+02 -0.169406D+02
      5  -0.189684D+02 -0.256635D+02  0.329593D+02 -0.155761D+02 -0.584801D+02
      6   0.575906D+01  0.881626D+01 -0.251324D+01  0.704213D+01  0.650980D+01
               226           227           228           229           230 
      1   0.102595D+03  0.180083D+01  0.239588D+02 -0.616383D+01  0.962584D+01
      2  -0.489785D+02  0.222406D+00 -0.103373D+02  0.414608D+01 -0.296335D+01
      3  -0.536166D+02 -0.202324D+01 -0.136214D+02  0.201775D+01 -0.666248D+01
      4   0.650374D+01  0.130517D+02  0.275625D+01  0.145677D+02  0.330525D+01
      5   0.198774D+02  0.186756D+01  0.170943D+02  0.884172D+00  0.180718D+01
      6   0.315582D+01 -0.894770D-01  0.188677D+01  0.200354D+00 -0.549899D+00
               231           232           233           234           235 
      1   0.475423D+00  0.495568D+02  0.286013D+01  0.197947D+02  0.251698D+01
      2  -0.920505D+00 -0.234376D+02 -0.137022D+01 -0.111355D+02  0.365660D+00
      3   0.445083D+00 -0.261191D+02 -0.148991D+01 -0.865924D+01 -0.288264D+01
      4   0.223626D+01  0.532117D+01  0.693490D+01 -0.277199D-02  0.422059D+01
      5  -0.277598D+01  0.228211D+02 -0.589142D+00  0.164947D+02  0.267491D+01
      6   0.218597D+01  0.252717D+01  0.175158D+01  0.256569D+01 -0.219955D+01
               236           237           238           239           240 
      1   0.947317D+01  0.202393D+00  0.196941D+02 -0.107083D+02  0.343077D+01
      2  -0.637551D+01  0.185265D+00 -0.560055D+01  0.237995D+02 -0.512251D+01
      3  -0.309766D+01 -0.387658D+00 -0.140936D+02 -0.130912D+02  0.169174D+01
      4  -0.268795D+00  0.158663D+01  0.205777D+02  0.620331D+02 -0.214397D+02
      5   0.801088D+00  0.471415D-01 -0.839388D+01 -0.197234D+02  0.141563D+02
      6   0.137266D+01 -0.157736D+01 -0.433552D+01 -0.173857D+02  0.113535D+02
               241           242           243 
      1  -0.458421D+01  0.412929D+01  0.630902D+00
      2   0.270480D+01 -0.337278D+01 -0.115231D+01
      3   0.187940D+01 -0.756507D+00  0.521408D+00
      4  -0.357096D+01 -0.164516D+02  0.114386D+02
      5   0.122419D+02  0.116543D+02 -0.176361D+02
      6   0.184121D+01  0.991503D+01 -0.628740D+01
 Leave Link  716 at Thu Aug 12 23:21:40 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.173201D+03  0.564181D+01 -0.299436D+01
      2   0.564181D+01  0.111455D+03 -0.284379D+01
      3  -0.299436D+01 -0.284379D+01  0.115759D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.464456D+01 -0.759478D+01 -0.739274D+01
      2   0.315214D+02 -0.112980D+02 -0.792864D+01
      3  -0.244978D+02  0.413534D+02  0.151178D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.773347D+02  0.272877D+02 -0.844646D-01
      2  -0.650250D+02  0.139816D+00  0.369221D+01
      3  -0.123097D+02 -0.274275D+02 -0.360775D+01
      4   0.363648D+02 -0.988890D+02 -0.338682D+02
      5  -0.252887D+02 -0.334024D+02 -0.148911D+02
      6  -0.149427D+02 -0.280858D+02  0.102568D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.371167D+01 -0.458730D+01 -0.460881D+01 -0.491583D+01 -0.169941D+01
      2  -0.458730D+01 -0.181661D+01  0.921243D+00 -0.169941D+01  0.161938D+01
      3  -0.460881D+01  0.921243D+00  0.162406D+01  0.118146D+01 -0.402982D+01
                 6             7             8             9            10 
      1   0.118146D+01 -0.343498D+01  0.119045D+01  0.152760D+01 -0.221108D+02
      2  -0.402982D+01  0.119045D+01 -0.331628D+01  0.542807D+00  0.696181D+01
      3   0.968255D+00  0.152760D+01  0.542807D+00  0.319002D+01  0.400755D+01
                11            12            13            14            15 
      1   0.696181D+01  0.400755D+01  0.109480D+02 -0.322949D+00 -0.145846D+01
      2   0.147320D+01 -0.685208D+00 -0.322949D+00  0.109013D+01  0.318178D+01
      3  -0.685208D+00 -0.182240D+01 -0.145846D+01  0.318178D+01 -0.762484D-01
                16            17            18            19            20 
      1   0.139792D+02 -0.178864D+01 -0.265675D+01  0.473871D+02  0.135837D+00
      2  -0.178864D+01  0.423044D+01  0.572776D+00  0.135837D+00  0.459241D+01
      3  -0.265675D+01  0.572776D+00 -0.478272D+01 -0.108595D+01  0.126454D+01
                21            22            23            24            25 
      1  -0.108595D+01 -0.407590D+01  0.914577D+01  0.296748D+01 -0.368589D+01
      2   0.126454D+01  0.914577D+01  0.119337D+01 -0.631184D+00  0.245255D+01
      3   0.640802D+00  0.296748D+01 -0.631184D+00 -0.303611D+01  0.109117D+01
                26            27            28            29            30 
      1   0.245255D+01  0.109117D+01 -0.651813D+02 -0.368412D+01  0.638145D+00
      2  -0.134744D+01 -0.258338D+01 -0.368412D+01 -0.408824D+01 -0.903414D+00
      3  -0.258338D+01  0.500713D+01  0.638145D+00 -0.903414D+00 -0.160594D+01
                31            32            33            34            35 
      1  -0.113801D+02 -0.607867D+01 -0.155127D+01  0.945494D+01 -0.291814D+00
      2  -0.607867D+01 -0.327721D+01 -0.497450D+00 -0.291814D+00  0.109231D+01
      3  -0.155127D+01 -0.497450D+00  0.139582D+01 -0.221487D+01  0.183731D+01
                36            37            38            39            40 
      1  -0.221487D+01  0.598255D+02  0.341141D+01  0.262235D+01  0.131289D+02
      2   0.183731D+01  0.341141D+01  0.236330D+01  0.101285D+01  0.506806D+01
      3  -0.334921D+01  0.262235D+01  0.101285D+01  0.117210D+01  0.124369D+01
                41            42            43            44            45 
      1   0.506806D+01  0.124369D+01 -0.125884D+02 -0.420468D+00  0.398482D+01
      2   0.270154D+01 -0.486916D+00 -0.420468D+00 -0.203887D+01 -0.204603D+01
      3  -0.486916D+00 -0.191140D+01  0.398482D+01 -0.204603D+01  0.248868D+01
                46            47            48            49            50 
      1  -0.204560D+02 -0.113039D+01 -0.328130D+01  0.479423D+01  0.374480D+00
      2  -0.113039D+01  0.124616D+01  0.185853D+00  0.374480D+00  0.624430D+00
      3  -0.328130D+01  0.185853D+00  0.750724D+00  0.292120D+01 -0.973883D+00
                51            52            53            54            55 
      1   0.292120D+01 -0.233843D+02  0.110005D+01 -0.824917D+01  0.529254D+01
      2  -0.973883D+00  0.110005D+01  0.739266D+00  0.998815D+00 -0.753446D+00
      3   0.148575D+01 -0.824917D+01  0.998815D+00 -0.539714D+01  0.287629D+01
                56            57            58            59            60 
      1  -0.753446D+00  0.287629D+01 -0.804702D+01  0.184933D+01 -0.282086D+01
      2   0.242957D+00 -0.491153D+00  0.184933D+01 -0.195513D+01  0.296785D+01
      3  -0.491153D+00  0.106713D+01 -0.282086D+01  0.296785D+01 -0.160492D+01
                61            62            63            64            65 
      1   0.236042D+02 -0.579600D+00  0.941774D+01  0.700837D+01 -0.580041D+01
      2  -0.579600D+00  0.106950D+01 -0.145921D+01 -0.580041D+01 -0.145346D+01
      3   0.941774D+01 -0.145921D+01  0.106168D+02 -0.205292D+01  0.106446D+01
                66            67            68            69            70 
      1  -0.205292D+01 -0.568302D+01 -0.125118D+01  0.130080D+01 -0.523758D+01
      2   0.106446D+01 -0.125118D+01 -0.613979D+00 -0.264984D+01  0.158820D+01
      3   0.129282D+01  0.130080D+01 -0.264984D+01  0.125414D+01  0.178375D+01
                71            72            73            74            75 
      1   0.158820D+01  0.178375D+01  0.109683D+01  0.107917D+01 -0.117151D+01
      2  -0.321028D+01  0.497472D-01  0.107917D+01 -0.405878D+01 -0.197440D+01
      3   0.497472D-01  0.665448D+01 -0.117151D+01 -0.197440D+01  0.325381D+01
                76            77            78            79            80 
      1   0.172323D+01 -0.463033D+01 -0.288595D+01 -0.214800D+01 -0.274806D+01
      2  -0.463033D+01 -0.298060D+01 -0.117668D+01 -0.274806D+01 -0.162867D+01
      3  -0.288595D+01 -0.117668D+01 -0.790556D+00  0.493130D+01 -0.217591D+00
                81            82            83            84            85 
      1   0.493130D+01 -0.862839D+01 -0.708094D+01 -0.103976D+01 -0.861858D+01
      2  -0.217591D+00 -0.708094D+01 -0.201788D+01  0.100906D+01 -0.394150D+01
      3   0.221378D+01 -0.103976D+01  0.100906D+01 -0.614561D+00  0.643630D+00
                86            87            88            89            90 
      1  -0.394150D+01  0.643630D+00  0.542756D+01  0.216638D+01 -0.352734D+00
      2   0.162585D+01  0.139123D+01  0.216638D+01  0.260257D+01  0.500179D+01
      3   0.139123D+01  0.370139D+01 -0.352734D+00  0.500179D+01 -0.466804D+00
                91            92            93            94            95 
      1  -0.134553D+01  0.159958D+01 -0.474413D+01  0.305817D+01 -0.239497D+00
      2   0.159958D+01  0.105003D+01 -0.115272D+01 -0.239497D+00 -0.445315D+01
      3  -0.474413D+01 -0.115272D+01 -0.118166D+01 -0.104237D+01  0.352455D+01
                96            97            98            99           100 
      1  -0.104237D+01 -0.819333D+01 -0.121464D+01 -0.313057D+01 -0.484855D+01
      2   0.352455D+01 -0.121464D+01  0.286649D+01  0.126002D+01 -0.221547D+00
      3   0.175835D+01 -0.313057D+01  0.126002D+01  0.412066D+01 -0.266581D+01
               101           102           103           104           105 
      1  -0.221547D+00 -0.266581D+01  0.717104D+00 -0.552776D+00  0.749265D+00
      2  -0.427009D+00  0.125592D+00 -0.552776D+00  0.473503D+00 -0.683565D+00
      3   0.125592D+00 -0.251033D+01  0.749265D+00 -0.683565D+00  0.715365D+00
               106           107           108           109           110 
      1  -0.429357D+01  0.273572D+00 -0.421866D+01 -0.782011D+01 -0.205954D+01
      2   0.273572D+00 -0.137793D+01 -0.105897D+00 -0.205954D+01 -0.110499D+01
      3  -0.421866D+01 -0.105897D+00 -0.529647D+01  0.268533D+01  0.808253D+00
               111           112           113           114           115 
      1   0.268533D+01 -0.175251D+01 -0.146325D+01  0.916775D+00  0.532567D+01
      2   0.808253D+00 -0.146325D+01 -0.115914D+01  0.862085D+00  0.156717D+01
      3  -0.221577D+01  0.916775D+00  0.862085D+00 -0.597343D+00 -0.367751D+01
               116           117           118           119           120 
      1   0.156717D+01 -0.367751D+01  0.530090D+00  0.509511D+00 -0.963977D+00
      2   0.162875D+01 -0.914207D+00  0.509511D+00 -0.314948D+00 -0.213387D+00
      3  -0.914207D+00  0.273417D+01 -0.963977D+00 -0.213387D+00  0.326508D+00
               121           122           123           124           125 
      1   0.151395D+01 -0.637000D+00 -0.919961D-01 -0.949497D+00 -0.316802D-01
      2  -0.637000D+00  0.651979D+00 -0.103524D+01 -0.316802D-01 -0.139874D+01
      3  -0.919961D-01 -0.103524D+01  0.145554D+01 -0.199460D+00  0.974708D+00
               126           127           128           129           130 
      1  -0.199460D+00  0.772367D+00 -0.191455D+00  0.691915D+00  0.158225D+00
      2   0.974708D+00 -0.191455D+00  0.120427D+01 -0.557861D+00  0.399540D+00
      3  -0.701890D+01  0.691915D+00 -0.557861D+00  0.659064D+00 -0.271227D+00
               131           132           133           134           135 
      1   0.399540D+00 -0.271227D+00  0.130592D+01 -0.288515D+00  0.214412D+00
      2  -0.443140D+01  0.183583D+01 -0.288515D+00  0.340025D+01 -0.287234D+01
      3   0.183583D+01 -0.197367D+01  0.214412D+00 -0.287234D+01  0.353572D+01
               136           137           138           139           140 
      1   0.113163D+01 -0.507511D+00 -0.676845D+00  0.975327D+00 -0.735225D+00
      2  -0.507511D+00  0.309929D+00 -0.299161D-01 -0.735225D+00 -0.679294D+01
      3  -0.676845D+00 -0.299161D-01  0.984374D-01 -0.486604D+00 -0.339429D+01
               141           142           143           144           145 
      1  -0.486604D+00 -0.231031D+01 -0.118836D+01 -0.667758D+00  0.383586D+00
      2  -0.339429D+01 -0.118836D+01 -0.536207D+01 -0.437205D+01 -0.375375D+00
      3  -0.266935D+01 -0.667758D+00 -0.437205D+01 -0.413314D+01  0.104971D+01
               146           147           148           149           150 
      1  -0.375375D+00  0.104971D+01 -0.660172D+00  0.646028D+00 -0.117320D+00
      2   0.672672D+00 -0.336262D+00  0.646028D+00 -0.430638D+01  0.241025D+01
      3  -0.336262D+00  0.360854D+00 -0.117320D+00  0.241025D+01 -0.338685D+01
               151           152           153           154           155 
      1   0.818751D+00 -0.257701D+00  0.728374D-01 -0.672310D+01  0.255408D+01
      2  -0.257701D+00  0.203372D+01 -0.199272D+01  0.255408D+01 -0.167564D+01
      3   0.728374D-01 -0.199272D+01  0.292814D+01  0.383583D+01 -0.146694D+01
               156           157           158           159           160 
      1   0.383583D+01  0.211402D+01 -0.156656D+01 -0.133558D+01  0.194575D+01
      2  -0.146694D+01 -0.156656D+01  0.162594D+01  0.174289D+01 -0.994755D+00
      3  -0.365359D+01 -0.133558D+01  0.174289D+01  0.152125D+01 -0.250072D+01
               161           162           163           164           165 
      1  -0.994755D+00 -0.250072D+01  0.344834D+01  0.209074D+01  0.145935D+01
      2   0.106186D+01  0.112504D+01  0.209074D+01  0.233813D+01  0.111953D+01
      3   0.112504D+01  0.280874D+01  0.145935D+01  0.111953D+01  0.199472D+01
               166           167           168           169           170 
      1   0.192931D+01  0.165218D+01  0.586909D+00  0.607662D+00  0.435222D+00
      2   0.165218D+01  0.305539D+01  0.195098D+01  0.435222D+00  0.105631D+01
      3   0.586909D+00  0.195098D+01  0.179248D+01  0.824756D+00  0.957890D+00
               171           172           173           174           175 
      1   0.824756D+00  0.263093D+01  0.235285D+01  0.424644D+00  0.175999D+01
      2   0.957890D+00  0.235285D+01  0.421437D+01 -0.163368D+00  0.188828D+01
      3   0.131921D+01  0.424644D+00 -0.163368D+00  0.852885D+00  0.166460D-01
               176           177           178           179           180 
      1   0.188828D+01  0.166460D-01  0.813061D+00 -0.591754D-01  0.340451D+00
      2   0.554643D+01  0.251352D+00 -0.591754D-01  0.112142D+01  0.869993D+00
      3   0.251352D+00  0.660884D+00  0.340451D+00  0.869993D+00 -0.251802D+00
               181           182           183           184           185 
      1  -0.770561D+01  0.458221D+01  0.123266D+01  0.211938D+01 -0.273265D+01
      2   0.458221D+01 -0.337279D+01 -0.570303D+00 -0.273265D+01  0.324392D+01
      3   0.123266D+01 -0.570303D+00 -0.143447D+01 -0.663317D+00  0.770871D+00
               186           187           188           189           190 
      1  -0.663317D+00  0.315168D+01 -0.159431D+01 -0.153270D+01 -0.124682D+01
      2   0.770871D+00 -0.159431D+01  0.204361D+01  0.917836D+00  0.788980D+00
      3   0.462378D+00 -0.153270D+01  0.917836D+00  0.587162D+00 -0.100153D+01
               191           192           193           194           195 
      1   0.788980D+00 -0.100153D+01  0.227400D+00  0.466121D-01 -0.140409D+00
      2  -0.512899D-01  0.469599D-01  0.466121D-01 -0.137768D+00 -0.712147D+00
      3   0.469599D-01 -0.100518D+01 -0.140409D+00 -0.712147D+00 -0.435061D+00
               196           197           198           199           200 
      1  -0.131185D+01  0.409681D+00 -0.195336D+01 -0.162999D+01 -0.478322D+00
      2   0.409681D+00 -0.162360D+01  0.122072D+01 -0.478322D+00  0.345443D-01
      3  -0.195336D+01  0.122072D+01 -0.844944D+01  0.935246D+00 -0.630767D-01
               201           202           203           204           205 
      1   0.935246D+00 -0.115080D+01  0.883367D+00  0.295869D+00  0.173783D+01
      2  -0.630767D-01  0.883367D+00 -0.796674D+00  0.115123D+01  0.433258D+00
      3  -0.192127D-01  0.295869D+00  0.115123D+01 -0.128702D+01 -0.375252D+00
               206           207           208           209           210 
      1   0.433258D+00 -0.375252D+00  0.141738D+01  0.691564D+00 -0.125450D+01
      2   0.135178D+01 -0.126160D+01  0.691564D+00  0.504760D-01 -0.588128D-01
      3  -0.126160D+01  0.473667D+01 -0.125450D+01 -0.588128D-01 -0.249735D+00
               211           212           213           214           215 
      1   0.949386D+00 -0.230046D+00 -0.750708D+00 -0.180749D+01 -0.579087D+00
      2  -0.230046D+00  0.655478D+00 -0.975172D+00 -0.579087D+00 -0.132780D+01
      3  -0.750708D+00 -0.975172D+00  0.192661D+01  0.914316D+00  0.181605D+01
               216           217           218           219           220 
      1   0.914316D+00  0.248753D+01 -0.838942D+00 -0.652752D+00 -0.231852D+01
      2   0.181605D+01 -0.838942D+00  0.217680D+00  0.515659D+00  0.106258D+01
      3  -0.643863D+01 -0.652752D+00  0.515659D+00  0.843131D+00  0.139188D+01
               221           222           223           224           225 
      1   0.106258D+01  0.139188D+01 -0.319266D+01  0.356866D+00  0.319385D+01
      2  -0.148281D+01 -0.226188D+01  0.356866D+00 -0.223219D+01 -0.178754D+01
      3  -0.226188D+01 -0.290255D+01  0.319385D+01 -0.178754D+01 -0.674284D+01
               226           227           228           229           230 
      1   0.971109D+01  0.244373D+00  0.236845D+01 -0.619953D+00  0.124352D+01
      2   0.244373D+00  0.103016D+01  0.189284D+00  0.124352D+01  0.388268D+00
      3   0.236845D+01  0.189284D+00  0.162882D+01  0.133825D+00  0.130526D+00
               231           232           233           234           235 
      1   0.133825D+00  0.520366D+01  0.440613D+00  0.218538D+01  0.861310D+00
      2   0.130526D+00  0.440613D+00  0.629450D+00 -0.815339D-01  0.707191D+00
      3  -0.295440D+00  0.218538D+01 -0.815339D-01  0.162389D+01  0.372347D+00
               236           237           238           239           240 
      1   0.707191D+00  0.372347D+00  0.310579D+01  0.182129D+01 -0.733356D+00
      2  -0.658634D+00  0.403555D+00  0.182129D+01  0.789157D+01 -0.266336D+01
      3   0.403555D+00 -0.253011D+00 -0.733356D+00 -0.266336D+01  0.186831D+01
               241           242           243 
      1  -0.838066D+00 -0.377214D+00  0.124715D+01
      2  -0.377214D+00 -0.206384D+01  0.154858D+01
      3   0.124715D+01  0.154858D+01 -0.223814D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.609021D+01 -0.469139D+01  0.132411D+01 -0.403380D+01  0.706424D+01
      2   0.651152D+01  0.822223D+01  0.950417D+01  0.678993D+01  0.126243D+02
      3  -0.832602D+01 -0.948852D+01 -0.167541D+01 -0.443868D+01  0.113539D+01
                 6             7             8             9            10 
      1  -0.137039D+02  0.105949D+00 -0.637585D+01  0.712267D+00 -0.221829D+01
      2  -0.428549D+01  0.217220D+01 -0.253651D+01 -0.860369D+01 -0.198734D+02
      3  -0.664878D+01 -0.388109D+00 -0.601544D+01  0.193064D+01  0.161501D+02
                11            12            13            14            15 
      1   0.270385D+01  0.104930D+01  0.448813D+01 -0.517814D+01 -0.388834D+01
      2   0.138203D+01  0.796022D+01  0.304815D+01 -0.100261D+02 -0.591955D+00
      3   0.512674D+01  0.264811D+01  0.164667D+02  0.703152D+01  0.696017D+01
                16            17            18            19            20 
      1   0.221652D+01  0.701558D+01  0.371551D+01 -0.573162D-01 -0.188068D+01
      2   0.765865D+01 -0.115533D+01  0.107169D+02  0.264315D+02  0.104898D+01
      3  -0.379789D+01  0.770666D+01 -0.112868D+00 -0.218747D+02 -0.710065D+01
                21            22            23            24            25 
      1  -0.120613D+01 -0.793272D+01 -0.276350D+01 -0.294194D+01 -0.293868D+01
      2   0.229440D+01 -0.184968D+01  0.661544D+01  0.515993D+01 -0.150705D+02
      3  -0.458549D+00  0.972696D+00 -0.739914D+01 -0.202092D+01 -0.372324D+00
                26            27            28            29            30 
      1   0.200413D+01  0.523217D+01  0.407913D+01  0.131118D+00  0.276214D+00
      2   0.342434D+01 -0.318690D+01 -0.361480D+02 -0.437482D+01 -0.350027D+01
      3  -0.328035D+01 -0.208770D+01  0.189269D+02  0.834500D+01  0.135160D+01
                31            32            33            34            35 
      1   0.333258D+01  0.247802D+01 -0.262010D+01  0.216789D+01  0.660584D-01
      2  -0.123141D+02 -0.371198D+01 -0.132053D+01 -0.137454D+02 -0.147645D+01
      3   0.342195D+02  0.693735D+01  0.190968D+00  0.251349D+01  0.737816D+00
                36            37            38            39            40 
      1  -0.437885D+01 -0.274367D+01 -0.134020D+01 -0.790777D+00 -0.830044D+01
      2  -0.143188D+01  0.436168D+02  0.372403D+01  0.128042D+02  0.142634D+02
      3   0.275393D-01 -0.153257D+02 -0.125511D+02 -0.185210D+01 -0.103036D+02
                41            42            43            44            45 
      1  -0.351176D+00 -0.499048D+01  0.135691D+01  0.254325D+00 -0.833333D+00
      2   0.324984D+01 -0.167112D+01 -0.129611D+02 -0.383634D+01  0.602400D+01
      3  -0.666872D+01  0.806233D+00 -0.114857D+01 -0.715263D+00  0.153786D+01
                46            47            48            49            50 
      1  -0.796334D-01  0.262541D+01  0.265826D+01 -0.449554D+01  0.398209D+01
      2  -0.120108D+02 -0.327703D+01 -0.476127D+01  0.527300D+01 -0.268955D+01
      3   0.739948D+00  0.132213D+02  0.518603D+01  0.263648D+02  0.170912D+01
                51            52            53            54            55 
      1  -0.670730D+01  0.270483D+01 -0.333946D+01 -0.242410D+01  0.128770D+01
      2   0.655315D+01 -0.487076D+02  0.328038D+00 -0.263628D+02  0.319160D+01
      3   0.187415D+01  0.474651D+01  0.886110D+01 -0.156161D+01  0.673513D+00
                56            57            58            59            60 
      1  -0.891017D+00 -0.676487D+00 -0.465063D+00 -0.286045D+01 -0.170329D+01
      2  -0.105692D+01  0.766324D+01 -0.850655D+01  0.863469D+01 -0.873302D+01
      3  -0.789281D+01 -0.385257D-01 -0.736523D+01  0.651715D+01 -0.781744D+01
                61            62            63            64            65 
      1  -0.169821D+01  0.844739D+01  0.518924D+00  0.890923D+01 -0.195168D+01
      2   0.287867D+02 -0.437815D+01  0.428457D+02  0.907149D+01 -0.720612D+01
      3  -0.361889D+01 -0.126095D+02  0.332393D+01 -0.102051D+02 -0.211650D+02
                66            67            68            69            70 
      1  -0.412663D+01 -0.205110D+01  0.795741D+01 -0.174570D+01 -0.713056D+01
      2  -0.235440D+01 -0.652824D+01  0.553167D+01 -0.196287D+01 -0.980614D+01
      3  -0.166449D+01 -0.110538D+02 -0.660465D+01 -0.445716D+01 -0.877242D-02
                71            72            73            74            75 
      1   0.510746D+01 -0.164345D+02 -0.548457D+00 -0.185231D+01  0.386969D+01
      2   0.105045D+01 -0.157267D+02  0.506565D+01  0.861118D+01 -0.107622D+02
      3  -0.499847D+01  0.370347D+01  0.578824D+01 -0.223551D+02 -0.806014D+01
                76            77            78            79            80 
      1  -0.192127D+01 -0.584377D+00 -0.251255D+01  0.573167D+01  0.198270D+01
      2   0.114820D+02  0.281937D+01  0.922227D+00 -0.241251D+02 -0.183089D+01
      3  -0.153959D+02 -0.517287D+01 -0.250649D+01 -0.936075D+01 -0.178223D+01
                81            82            83            84            85 
      1   0.225521D+01  0.210649D+01  0.477707D+01 -0.219407D+01  0.610312D+01
      2  -0.569755D+01 -0.511816D+01 -0.695900D+01  0.250574D+01 -0.899549D+01
      3  -0.520334D+01 -0.678614D+01  0.856431D+01  0.283290D+01  0.203107D+02
                86            87            88            89            90 
      1   0.472264D+01  0.725743D+01 -0.264285D+01  0.163370D+02 -0.340961D+01
      2  -0.507248D+01 -0.570572D+01  0.419396D+00 -0.682627D+01  0.134762D+01
      3   0.892711D+01  0.183970D+00  0.340616D+01 -0.104898D+00  0.104894D+02
                91            92            93            94            95 
      1   0.713470D+00 -0.237793D+01  0.107204D+01  0.574448D+01  0.299750D+01
      2  -0.204397D+02 -0.289872D+01 -0.471176D+01 -0.363106D+01  0.153163D+02
      3  -0.789353D+01 -0.115165D+02  0.250879D+01  0.121806D+02  0.213816D+02
                96            97            98            99           100 
      1  -0.863458D+01  0.469766D+01 -0.829417D+00 -0.422198D+01 -0.214763D+01
      2   0.876287D+01 -0.232008D+02  0.423998D+01  0.153222D+02  0.597290D+01
      3  -0.207002D+02  0.474186D+01 -0.113718D+02 -0.824232D+01  0.357271D+01
               101           102           103           104           105 
      1   0.116685D+01 -0.222265D+01  0.658569D+00 -0.118305D+01 -0.186322D-01
      2  -0.847303D+00  0.933208D+01 -0.228537D+01  0.206959D+01 -0.229258D+01
      3  -0.256383D+01  0.295676D+01 -0.332118D+00  0.281036D+01 -0.281774D+01
               106           107           108           109           110 
      1  -0.367586D+01  0.303281D+01 -0.460753D+01  0.295666D+01 -0.166542D+00
      2   0.996015D+01  0.114736D+00  0.171413D+02 -0.103847D+02 -0.319841D+01
      3   0.493573D+01 -0.620851D+01  0.351678D+01  0.112176D+01 -0.460779D+01
               111           112           113           114           115 
      1  -0.282050D+01  0.161534D+01  0.614024D+00 -0.171284D+01 -0.340068D+01
      2   0.109181D+02 -0.377628D+01 -0.337374D+01  0.283310D+01  0.119952D+02
      3   0.149073D+00 -0.511340D+00 -0.280360D+01  0.205950D+01  0.488766D+00
               116           117           118           119           120 
      1   0.773849D+00  0.326937D+01 -0.115518D+01  0.112898D+00  0.178305D+00
      2   0.314294D+01 -0.119045D+02  0.302444D+01  0.654514D+00  0.335662D+00
      3   0.587051D+01  0.508806D+00  0.244290D+00 -0.105792D+01  0.462057D+00
               121           122           123           124           125 
      1  -0.119028D+01 -0.191328D+01  0.399556D+00 -0.539296D+00  0.436289D+01
      2   0.122464D+01  0.124459D+00 -0.172411D+01 -0.393538D+01 -0.918166D+00
      3   0.240677D+01  0.456620D+00 -0.488921D+00  0.581121D+00 -0.100538D+01
               126           127           128           129           130 
      1  -0.387658D+01  0.218044D+01 -0.151558D+01  0.240592D+01 -0.116438D+01
      2   0.672762D+01 -0.115459D+01  0.120408D+01 -0.549148D-01  0.161956D+01
      3   0.112031D+01 -0.250415D+01  0.109892D+01 -0.281290D+01  0.237619D+01
               131           132           133           134           135 
      1   0.501239D+01 -0.702395D+01  0.971427D+00 -0.590386D+01  0.115616D+02
      2  -0.297776D+01  0.304512D+01 -0.191026D+01  0.480242D+01 -0.588134D+01
      3  -0.875376D+01  0.412721D+01 -0.493032D+01  0.677438D+01 -0.645567D+01
               136           137           138           139           140 
      1  -0.154443D+01 -0.586028D+00  0.323137D+00 -0.582203D+00 -0.253458D+01
      2   0.185422D+01 -0.752375D-01  0.375431D+00  0.202207D-01  0.549724D+01
      3  -0.152942D+01  0.395990D+00  0.129900D+01  0.193012D+01 -0.116968D+02
               141           142           143           144           145 
      1  -0.663074D+01  0.330996D-01 -0.461071D+01 -0.794873D+01 -0.149730D+01
      2   0.464614D+01 -0.246237D+01  0.683534D+01  0.672802D+01 -0.414591D+01
      3  -0.552528D+01  0.288056D+01 -0.819281D+01 -0.749625D+01 -0.710426D+00
               146           147           148           149           150 
      1   0.248157D+01 -0.786288D+00  0.214890D+01 -0.133648D+02  0.436277D+01
      2   0.180156D+01 -0.194637D+01  0.364585D+01 -0.686189D+01  0.704593D+01
      3   0.456892D+00 -0.417534D-01  0.290663D+01 -0.706034D+01  0.393509D+01
               151           152           153           154           155 
      1  -0.731270D+00  0.701204D+01 -0.500400D+01  0.219216D+01 -0.329986D+01
      2  -0.361523D+01  0.479481D+01 -0.580316D+01  0.509274D+01 -0.156647D+01
      3  -0.749045D+00  0.314154D+01 -0.336150D+01  0.484604D+00 -0.392779D+01
               156           157           158           159           160 
      1   0.746450D+00 -0.189792D+01  0.203497D+01  0.790894D+00 -0.641139D+00
      2   0.352646D+01 -0.274778D+01 -0.117909D+01 -0.138676D+01 -0.227585D+01
      3  -0.702344D+00 -0.511772D+00  0.301085D+01  0.257611D+01  0.319372D+00
               161           162           163           164           165 
      1   0.298375D+01 -0.407574D+00  0.294700D+01  0.469892D+01 -0.732479D+00
      2  -0.310167D-01 -0.158774D+01 -0.129458D+02 -0.723544D+01 -0.533726D+01
      3   0.221005D+01  0.477581D+00  0.893624D+01  0.484533D+01  0.334667D+01
               166           167           168           169           170 
      1   0.290049D+01  0.456209D+01  0.369324D+00  0.147478D+00  0.284441D+01
      2  -0.692772D+01 -0.795387D+01 -0.382508D+01 -0.496110D+01 -0.314650D+01
      3   0.692727D+01  0.629744D+01  0.419699D+01  0.157002D+01  0.186217D+01
               171           172           173           174           175 
      1   0.637198D+00 -0.260183D+01 -0.189972D+01 -0.328743D+01 -0.144067D+01
      2  -0.409793D+01  0.129839D+01  0.203520D+01  0.201401D-01  0.150480D+01
      3   0.286171D+01  0.159477D+02  0.148378D+02  0.818136D+00  0.116822D+02
               176           177           178           179           180 
      1  -0.386118D+01 -0.368543D+01 -0.897058D+00 -0.104709D+01  0.759621D-01
      2   0.116923D+01 -0.470795D+00 -0.123406D+01 -0.183194D+01  0.833235D+00
      3   0.184226D+02  0.730030D+00  0.180738D+01  0.257561D+01  0.305526D+01
               181           182           183           184           185 
      1  -0.542499D+01  0.292221D+01  0.491586D+01  0.328749D+01 -0.352748D+01
      2  -0.705961D+01  0.393916D+01  0.703553D+01  0.313111D+01 -0.363532D+01
      3  -0.351422D+01 -0.266215D+01  0.139835D+01  0.213416D+01  0.410736D+01
               186           187           188           189           190 
      1  -0.304399D+01  0.376964D+01 -0.144084D+01 -0.203944D+01  0.140782D+01
      2  -0.268540D+01  0.452898D+01 -0.275853D+01 -0.288974D+01  0.154395D+01
      3   0.677461D+00  0.761428D+00  0.334939D+01 -0.582715D+00  0.492219D+00
               191           192           193           194           195 
      1   0.200692D+00  0.233503D+01 -0.154435D+00  0.214651D+01  0.374824D+00
      2   0.296865D+00  0.262017D+01  0.170603D+00  0.181504D+01  0.102143D+01
      3   0.445529D+00 -0.164145D+01  0.115559D+01 -0.353658D+00 -0.176112D+01
               196           197           198           199           200 
      1   0.368732D+01  0.264083D+01  0.180471D+02  0.100334D-01  0.535048D+00
      2   0.651421D+00 -0.240358D+01  0.196687D+02 -0.513103D+00 -0.468653D+00
      3  -0.198141D+01 -0.398700D+01  0.382333D+00  0.112396D+01 -0.902803D-01
               201           202           203           204           205 
      1  -0.253830D+00  0.540839D+01  0.535466D-02 -0.158984D+01  0.109480D+01
      2  -0.576746D+00  0.164407D+01  0.167799D+01  0.518051D-01 -0.417528D+01
      3  -0.591139D+00  0.137121D+01  0.497689D+00 -0.860420D+00 -0.223487D+01
               206           207           208           209           210 
      1   0.262076D+01  0.400724D+01 -0.169615D+01  0.118223D-01  0.375407D-01
      2   0.666581D+00  0.333156D+01 -0.149655D+01  0.501338D+00 -0.969482D+00
      3  -0.141508D+01  0.315071D+00 -0.314887D+01 -0.785998D+00 -0.156629D-01
               211           212           213           214           215 
      1   0.658841D+01 -0.628134D+00 -0.161193D+00  0.241670D+01  0.445336D+01
      2  -0.167067D+01 -0.211364D+01  0.310017D+01 -0.338619D+01  0.283262D+01
      3   0.103697D+02 -0.184116D+00  0.196206D+01  0.351437D+01  0.329140D+01
               216           217           218           219           220 
      1  -0.305511D+00  0.365046D+00 -0.580754D+00 -0.753354D+00 -0.234215D+01
      2  -0.106347D+02 -0.435440D+00  0.146340D+01  0.404361D+01  0.415585D+01
      3  -0.359758D+01  0.189129D+01 -0.270426D+01 -0.199422D+01 -0.741950D+01
               221           222           223           224           225 
      1   0.299230D+01  0.272413D+01 -0.263748D+01  0.450233D+01  0.512674D+01
      2  -0.901359D+01 -0.122626D+02  0.907866D+01 -0.767451D+01 -0.268168D+02
      3   0.685986D+01  0.117569D+02 -0.461030D+01  0.967194D+01  0.110022D+02
               226           227           228           229           230 
      1  -0.157337D+01 -0.797045D-01 -0.108215D+01 -0.854305D+00 -0.379838D+00
      2   0.168832D+02  0.889069D+00  0.113372D+02  0.287705D+00  0.103759D+01
      3   0.320958D+01 -0.638088D+01  0.515566D+00 -0.349862D+01 -0.925343D+00
               231           232           233           234           235 
      1  -0.517551D+00 -0.127364D+01  0.857989D+00 -0.757085D+00  0.223246D+00
      2  -0.120785D+01  0.105768D+02 -0.357461D+00  0.941570D+01  0.669565D+00
      3  -0.753432D+00  0.350941D+00 -0.337433D+01  0.125524D+01 -0.310511D+00
               236           237           238           239           240 
      1   0.745929D+00 -0.259078D+00 -0.195174D+01 -0.601481D+01 -0.319831D+00
      2   0.196573D+01  0.571602D+00  0.972099D+00 -0.957372D+01  0.698399D+01
      3   0.378807D+01 -0.250734D+01 -0.634502D+01 -0.356642D+02  0.128157D+02
               241           242           243 
      1  -0.693660D-01  0.197221D+01  0.724825D-01
      2   0.314476D+01  0.611454D+01 -0.797205D+01
      3   0.583550D+00  0.900857D+01 -0.680657D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.749114D+00  0.188445D+02  0.182928D+02  0.173179D+02  0.131281D+02
      2   0.284951D+01 -0.157347D+02 -0.133811D+02 -0.145090D+02  0.454895D+01
      3  -0.359862D+01 -0.310987D+01 -0.491170D+01 -0.280891D+01 -0.176771D+02
      4   0.206919D+02 -0.305268D+01 -0.126417D+02 -0.138804D+01 -0.100166D+02
      5   0.267808D+02 -0.186459D+02 -0.207528D+02 -0.197370D+02  0.108041D+02
      6  -0.188906D+02 -0.503775D+01  0.559747D+01 -0.323469D+01  0.153104D+01
                 6             7             8             9            10 
      1  -0.507785D+01  0.130507D+02 -0.566597D+01 -0.141984D+02 -0.179265D+02
      2  -0.321213D+01 -0.863050D+01 -0.386693D+01 -0.150043D+01  0.210631D+02
      3   0.828998D+01 -0.442024D+01  0.953290D+01  0.156988D+02 -0.313664D+01
      4   0.157034D+02 -0.122838D+02  0.134382D+02  0.854087D+00 -0.374852D+02
      5  -0.736943D+00 -0.187823D+02  0.963866D+00 -0.739796D+01 -0.137752D+02
      6  -0.129294D+02  0.502584D+01 -0.119122D+02  0.797260D+01  0.605024D+01
                11            12            13            14            15 
      1  -0.233925D+02 -0.891067D+01 -0.284686D+02 -0.250157D+02 -0.492955D+01
      2   0.153228D+02  0.420976D+01  0.178215D+02  0.811954D+01  0.689702D+01
      3   0.806977D+01  0.470091D+01  0.106471D+02  0.168962D+02 -0.196747D+01
      4   0.284458D+00  0.511236D+01 -0.250007D+01 -0.484371D+01 -0.162022D+02
      5   0.332857D+01  0.107823D+02  0.551174D+01 -0.137176D+02  0.141447D+01
      6  -0.393042D+01 -0.113045D+01 -0.243023D+01  0.123146D+02  0.475086D+00
                16            17            18            19            20 
      1  -0.981988D+00 -0.337376D+01  0.129960D+02  0.614255D+02  0.101830D+02
      2  -0.841117D+01  0.978159D+01 -0.548236D+01 -0.617962D+02 -0.123002D+02
      3   0.939316D+01 -0.640783D+01 -0.751365D+01  0.370707D+00  0.211717D+01
      4   0.878356D+01 -0.207243D+02 -0.233103D+01  0.615029D+01 -0.168147D+02
      5   0.120160D+02 -0.779215D+00  0.205157D+02 -0.767352D+01 -0.435177D+01
      6  -0.272486D+01 -0.162503D+01 -0.100225D+02 -0.131248D+02 -0.431974D+01
                21            22            23            24            25 
      1   0.295842D+01  0.123698D+02  0.980032D+01 -0.197180D+01  0.391006D+01
      2  -0.433148D+01 -0.160140D+02 -0.117237D+02 -0.333270D+01  0.516234D+00
      3   0.137305D+01  0.364424D+01  0.192335D+01  0.530450D+01 -0.442629D+01
      4  -0.436655D+01 -0.320058D+02 -0.447475D+01  0.454270D+01 -0.864624D+01
      5   0.287657D+00 -0.869269D+01  0.479302D+00  0.689284D+01 -0.350757D+01
      6  -0.699048D+00 -0.761641D+01 -0.383738D+01  0.147768D+01 -0.135390D+01
                26            27            28            29            30 
      1  -0.229999D+01  0.744729D+01 -0.129424D+03 -0.660487D+01 -0.446091D+01
      2  -0.396943D+01  0.119955D+02  0.959398D+02  0.509373D+01  0.247529D+01
      3   0.626942D+01 -0.194428D+02  0.334840D+02  0.151113D+01  0.198562D+01
      4   0.792113D+01  0.562974D+01  0.333430D+01 -0.111492D+02 -0.211410D+01
      5   0.390087D+01 -0.737791D+01  0.744443D+01 -0.186920D+01 -0.112949D+02
      6   0.479462D+01  0.234437D+01  0.164997D+02  0.620882D+01  0.175646D+01
                31            32            33            34            35 
      1  -0.318089D+02 -0.255222D+02 -0.777030D+01  0.284485D+02 -0.362753D+01
      2   0.269811D+02  0.241884D+02  0.462851D+01 -0.163485D+02  0.419006D+01
      3   0.482771D+01  0.133379D+01  0.314179D+01 -0.121000D+02 -0.562533D+00
      4  -0.794923D+01 -0.900993D+01 -0.252068D+01 -0.113076D+01  0.122127D+00
      5  -0.306497D+00 -0.887344D+00 -0.265945D+01  0.101503D+01  0.207126D+01
      6   0.252330D+01  0.742306D+01  0.464769D+01 -0.411147D+00 -0.102569D+01
                36            37            38            39            40 
      1  -0.369171D+01  0.157065D+03  0.106936D+02  0.891142D+01  0.340827D+02
      2  -0.190415D+01 -0.111170D+03 -0.675219D+01 -0.607477D+01 -0.179929D+02
      3   0.559586D+01 -0.458950D+02 -0.394142D+01 -0.283665D+01 -0.160898D+02
      4   0.264421D+01 -0.592209D+01  0.185523D+02  0.183828D+01  0.296681D+02
      5  -0.205879D+01  0.111662D+02  0.331998D+01  0.198344D+02  0.587867D+01
      6   0.515958D+01 -0.179181D+02 -0.565178D+01 -0.332012D+01 -0.114702D+02
                41            42            43            44            45 
      1   0.273533D+01 -0.317254D+01 -0.333293D+02 -0.934900D+01  0.129112D+02
      2   0.445484D+01 -0.283512D+01  0.211263D+02  0.376781D+01 -0.141884D+01
      3  -0.719017D+01  0.600766D+01  0.122030D+02  0.558118D+01 -0.114923D+02
      4   0.673317D+01 -0.260958D+01  0.229982D+01 -0.449811D+01 -0.741925D+01
      5  -0.200294D+01 -0.477200D+01  0.263675D+02 -0.537553D+01  0.760043D+01
      6  -0.722816D+00  0.434337D+01 -0.244527D+01  0.405805D+01  0.667253D+01
                46            47            48            49            50 
      1  -0.703286D+02 -0.513416D+01  0.746385D+01 -0.461172D+00 -0.401589D+01
      2   0.508944D+02 -0.212946D+01 -0.101368D+01 -0.541451D+01  0.656750D+01
      3   0.194342D+02  0.726362D+01 -0.645017D+01  0.587568D+01 -0.255162D+01
      4  -0.529930D+01 -0.168625D+02  0.469357D+01 -0.113547D+01  0.211167D+01
      5  -0.442443D+01  0.169974D+01 -0.169870D+02  0.236621D+02 -0.590355D+01
      6   0.131708D+02  0.175046D+01 -0.497862D+00 -0.208600D+01  0.460971D+01
                51            52            53            54            55 
      1   0.839934D+01 -0.364960D+02  0.546872D+01 -0.158518D+02  0.296804D+02
      2  -0.100592D+02  0.386689D+02  0.252105D+00  0.196849D+02 -0.179239D+02
      3   0.165984D+01 -0.217285D+01 -0.572083D+01 -0.383307D+01 -0.117566D+02
      4  -0.753736D+01  0.263920D+02 -0.523023D+01  0.980673D+01 -0.834783D+01
      5   0.699904D+01 -0.582078D+02  0.523042D+01 -0.413572D+02  0.215640D+02
      6   0.339443D+01  0.130226D+02 -0.601154D+01  0.736874D+01 -0.244735D+01
                56            57            58            59            60 
      1  -0.404950D+01  0.120238D+02 -0.221266D+02 -0.673341D+00 -0.259104D+01
      2   0.336175D+01 -0.808767D+01  0.141843D+02  0.147155D+01  0.294081D+01
      3   0.687750D+00 -0.393618D+01  0.794231D+01 -0.798206D+00 -0.349765D+00
      4   0.131142D+02 -0.512759D+01  0.225996D+02 -0.156571D+02  0.212248D+02
      5  -0.417530D+01  0.214705D+02 -0.180432D+02  0.206368D+02 -0.118346D+02
      6   0.176201D+01 -0.146985D+01  0.105772D+02 -0.873661D+01  0.133678D+02
                61            62            63            64            65 
      1   0.629100D+02  0.279539D+01  0.101486D+01 -0.355221D+01  0.379878D+02
      2  -0.507615D+02 -0.203644D+01 -0.303892D+02 -0.200522D+02 -0.261155D+02
      3  -0.121485D+02 -0.758954D+00  0.293744D+02  0.236044D+02 -0.118722D+02
      4  -0.150032D+02  0.155880D+02 -0.154431D+02  0.374019D+02 -0.203159D+02
      5   0.648985D+02 -0.100477D+02  0.746180D+02  0.906021D+01 -0.281770D+01
      6  -0.115076D+02  0.144758D+02 -0.954147D+01 -0.790723D+01  0.685315D+01
                66            67            68            69            70 
      1   0.109806D+02  0.334656D+02  0.516152D+01 -0.216060D+00  0.119197D+02
      2  -0.293378D+00 -0.211866D+02 -0.576914D+01 -0.710135D+01  0.479659D+01
      3  -0.106872D+02 -0.122790D+02  0.607613D+00  0.731741D+01 -0.167163D+02
      4  -0.132868D+02 -0.152919D+02 -0.641746D+01  0.153326D+02 -0.193173D+02
      5  -0.475896D+01 -0.405473D+01  0.149885D+02 -0.635712D+01 -0.678925D+01
      6   0.427837D+01  0.815852D+01 -0.131251D+02  0.501481D+01  0.579496D+01
                71            72            73            74            75 
      1  -0.279203D+01 -0.335569D+01 -0.107319D+02 -0.113198D+02  0.393828D+01
      2  -0.957078D+01  0.177101D+02  0.677536D+01  0.894789D+01  0.483646D+01
      3   0.123628D+02 -0.143544D+02  0.395651D+01  0.237195D+01 -0.877474D+01
      4   0.188684D+02  0.392039D+01 -0.935802D+01  0.112989D+02  0.119946D+02
      5  -0.825126D+00 -0.343720D+02  0.112046D+02  0.114415D+02 -0.278258D+02
      6   0.547535D+01  0.198056D+02  0.310973D+01  0.821512D+01 -0.342565D+01
                76            77            78            79            80 
      1  -0.135760D+02  0.325265D+02  0.190974D+02  0.113141D+02  0.196108D+02
      2   0.107913D+02 -0.155836D+02 -0.103834D+02  0.321608D+01 -0.116422D+02
      3   0.278464D+01 -0.169429D+02 -0.871392D+01 -0.145302D+02 -0.796864D+01
      4   0.234984D+02  0.205620D+02  0.940745D+01  0.215685D+02  0.134302D+02
      5   0.190349D+02  0.705344D+01  0.331792D+01 -0.408498D+02 -0.304994D+00
      6   0.697316D+01  0.150487D+01  0.383023D+00 -0.601203D+01  0.212657D+01
                81            82            83            84            85 
      1  -0.337638D+02 -0.394442D+02  0.671351D+01  0.577520D+01  0.111500D+02
      2   0.254093D+02  0.429984D+02  0.516400D+01 -0.659060D+01  0.330751D+01
      3   0.835441D+01 -0.355416D+01 -0.118775D+02  0.815399D+00 -0.144575D+02
      4  -0.536875D+01  0.231704D+02  0.183114D+02 -0.130631D+01  0.234907D+02
      5  -0.161078D+02  0.520118D+01  0.357544D+00  0.226971D+01 -0.103100D+01
      6   0.223277D+01  0.108557D+02 -0.241104D+01  0.279713D+01 -0.135017D+01
                86            87            88            89            90 
      1   0.879202D+01 -0.487284D+00  0.192877D+02  0.381054D+01  0.250973D+02
      2  -0.275647D+01  0.133502D+01 -0.198293D+02 -0.345582D+01 -0.271302D+02
      3  -0.603555D+01 -0.847736D+00  0.541603D+00 -0.354718D+00  0.203294D+01
      4  -0.110492D+01 -0.832265D+01 -0.676167D+01 -0.134961D+02 -0.128032D+02
      5  -0.359445D+01 -0.117970D+02  0.283197D+01 -0.163873D+02  0.217643D+01
      6  -0.107831D+02 -0.212599D+02 -0.174418D+01 -0.319145D+02 -0.517992D+01
                91            92            93            94            95 
      1  -0.196493D+02  0.818505D+01 -0.404132D+02  0.211429D+02  0.139134D+02
      2   0.808287D+01 -0.181622D+01  0.189270D+02 -0.162238D+02 -0.126333D+02
      3   0.115665D+02 -0.636883D+01  0.214862D+02 -0.491909D+01 -0.128008D+01
      4   0.142882D+02  0.138377D+02 -0.116567D+02 -0.293361D+01 -0.328730D+02
      5  -0.463544D+02 -0.108236D+02 -0.266527D+01 -0.129893D+02  0.262582D+02
      6  -0.668900D+01 -0.455615D+01  0.239434D+01  0.250204D+01  0.103459D+02
                96            97            98            99           100 
      1  -0.100650D+02 -0.609672D+02 -0.103342D+02 -0.178215D+02  0.367849D+02
      2   0.165747D+02  0.283132D+02  0.129028D+02  0.151542D+02 -0.243558D+02
      3  -0.650968D+01  0.326540D+02 -0.256865D+01  0.266728D+01 -0.124291D+02
      4   0.285698D+02 -0.135851D+02  0.218217D+02  0.132005D+02  0.615009D+01
      5   0.197352D+02 -0.218270D+02  0.135022D+02  0.311226D+02  0.257619D+02
      6  -0.831898D+01  0.355941D+01 -0.471706D+01 -0.606838D+01  0.191653D+01
               101           102           103           104           105 
      1   0.159559D+01  0.171800D+02 -0.504760D+01  0.118906D+01 -0.504427D+01
      2  -0.378493D+00 -0.132795D+02  0.394934D+01 -0.167049D+01  0.418848D+01
      3  -0.121709D+01 -0.390050D+01  0.109826D+01  0.481431D+00  0.855791D+00
      4   0.527822D+01  0.108822D+01  0.645307D+01 -0.311838D+01  0.550931D+01
      5  -0.998489D+00  0.240678D+02 -0.621547D+01  0.656577D+01 -0.512619D+01
      6   0.121271D+01  0.268530D+01  0.222833D+01 -0.240362D+00  0.407987D+01
               106           107           108           109           110 
      1   0.274309D+02 -0.236256D+01  0.197264D+02  0.609479D+02  0.139889D+02
      2  -0.230287D+02  0.288746D+01 -0.238382D+02 -0.306144D+02 -0.506313D+01
      3  -0.440220D+01 -0.524907D+00  0.411177D+01 -0.303335D+02 -0.892573D+01
      4   0.245023D+01  0.894573D+01  0.405385D+01  0.263631D+02  0.137246D+02
      5   0.378329D+02  0.773849D+00  0.417379D+02 -0.233393D+02 -0.671754D+01
      6   0.416801D+01  0.416552D+01  0.536609D+01 -0.678072D+01 -0.326011D+01
               111           112           113           114           115 
      1  -0.184448D+02  0.123760D+02  0.469967D+01 -0.508680D+01 -0.353160D+02
      2   0.921577D+01 -0.364903D+01  0.187452D+01  0.158602D+01  0.185898D+02
      3   0.922899D+01 -0.872697D+01 -0.657419D+01  0.350078D+01  0.167261D+02
      4  -0.953027D+01  0.162533D+02  0.107987D+02 -0.833201D+01 -0.180499D+02
      5   0.199041D+02 -0.716822D+01 -0.737939D+01  0.452150D+01  0.306678D+02
      6   0.436198D+01 -0.414091D+01 -0.270688D+01  0.390501D+01  0.798062D+01
               116           117           118           119           120 
      1  -0.869403D+01  0.201680D+02  0.106697D+01 -0.406886D+00  0.251660D+01
      2   0.286279D+01 -0.145751D+02 -0.415214D+01  0.263958D+00  0.247045D+00
      3   0.583124D+01 -0.559297D+01  0.308517D+01  0.142928D+00 -0.276365D+01
      4  -0.143718D+02  0.108061D+02 -0.155233D+01  0.287200D+01  0.551884D+00
      5   0.746754D+01 -0.221485D+02  0.105954D+01 -0.279365D+00  0.606659D+01
      6   0.454441D+01 -0.684717D+01 -0.476220D+00 -0.122457D+00 -0.126451D-01
               121           122           123           124           125 
      1   0.731271D+00 -0.556893D+01  0.450947D+01  0.761384D+00  0.227002D+01
      2   0.205460D+00  0.125351D+01  0.538010D+00 -0.529347D+00  0.223168D+01
      3  -0.936731D+00  0.431542D+01 -0.504748D+01 -0.232037D+00 -0.450170D+01
      4   0.270788D+01 -0.136950D+01  0.140010D+01  0.309691D+00  0.382311D+01
      5  -0.551565D+00  0.105977D+01 -0.299937D+01  0.542090D+01 -0.174335D+01
      6  -0.185556D+00 -0.258846D+01  0.620763D+01 -0.740865D-01  0.464617D+01
               126           127           128           129           130 
      1  -0.221099D+02 -0.461132D+00  0.604221D+01 -0.405674D+01  0.365720D+01
      2  -0.122608D+02  0.656436D+00 -0.783143D+01  0.377559D+01 -0.364522D+01
      3   0.343707D+02 -0.195304D+00  0.178922D+01  0.281154D+00 -0.119790D-01
      4  -0.299379D+01 -0.142807D+01  0.130623D+01 -0.229280D+01  0.318288D+01
      5   0.115053D+02 -0.117593D+01  0.920416D-01  0.217694D+00 -0.490038D-01
      6  -0.223656D+00 -0.484889D+01  0.256924D+01 -0.305744D+01  0.912507D+00
               131           132           133           134           135 
      1  -0.197764D+02  0.801753D+01 -0.707446D+01  0.146202D+02 -0.160200D+02
      2   0.275957D+02 -0.109942D+02  0.455621D+01 -0.197988D+02  0.149644D+02
      3  -0.781922D+01  0.297669D+01  0.251824D+01  0.517861D+01  0.105560D+01
      4   0.105773D+02 -0.398621D+01 -0.493950D+01 -0.803856D+01  0.625746D+01
      5  -0.560827D+01  0.621730D+01  0.479622D+00  0.889270D+01 -0.109934D+02
      6  -0.994532D+01  0.124711D+02 -0.669144D+00  0.169019D+02 -0.159940D+02
               136           137           138           139           140 
      1   0.486208D+01  0.571429D+01  0.335528D+01  0.246835D+01 -0.280942D+02
      2  -0.354979D+01 -0.401989D+01 -0.129434D+01 -0.967613D-01  0.351056D+02
      3  -0.131229D+01 -0.169440D+01 -0.206093D+01 -0.237158D+01 -0.701134D+01
      4   0.452929D+01  0.644850D+01  0.468575D+01  0.877052D+01  0.234315D+02
      5   0.261667D+01  0.350076D+01  0.434226D+01  0.396687D+01  0.122034D+02
      6   0.439517D+01 -0.301898D+00 -0.713149D+00  0.391764D+01  0.279604D+02
               141           142           143           144           145 
      1  -0.138266D+02 -0.116254D+01 -0.230208D+02 -0.220972D+02 -0.210901D+01
      2   0.141441D+02  0.342566D+01  0.213154D+02  0.131298D+02 -0.129083D+01
      3  -0.317543D+00 -0.226312D+01  0.170537D+01  0.896738D+01  0.339984D+01
      4   0.120097D+02  0.100977D+02  0.188053D+02  0.142201D+02  0.740915D+00
      5   0.974296D+01  0.716150D+01  0.156011D+02  0.144671D+02 -0.320512D+01
      6   0.215129D+02  0.533502D+01  0.310612D+02  0.272261D+02 -0.858965D+00
               146           147           148           149           150 
      1   0.145273D+01 -0.609830D+01  0.253181D+01 -0.955101D+01  0.995754D+01
      2   0.108064D+01  0.106240D+01 -0.607354D+00 -0.107806D+01  0.706023D+01
      3  -0.253337D+01  0.503590D+01 -0.192446D+01  0.106291D+02 -0.170178D+02
      4   0.311407D+00  0.136510D+01  0.363182D+00  0.159415D+02 -0.919483D+01
      5  -0.207142D+00  0.382943D+01 -0.266427D+01 -0.722580D+01  0.110183D+02
      6   0.286247D+01 -0.170009D+01  0.173685D+01 -0.164993D+02  0.112001D+02
               151           152           153           154           155 
      1  -0.358519D+01  0.713225D+01 -0.105431D+02  0.285326D+02 -0.741450D+01
      2   0.116895D+01  0.466121D+01 -0.778408D+01 -0.205125D+02  0.413130D+01
      3   0.241624D+01 -0.117935D+02  0.183271D+02 -0.802015D+01  0.328320D+01
      4   0.895426D+00 -0.712169D+01  0.702368D+01 -0.217612D+02  0.146517D+02
      5   0.482961D+01  0.555245D+01 -0.856790D+01 -0.384995D+02  0.144024D+02
      6  -0.148694D+01  0.110185D+02 -0.920200D+01  0.124694D+02 -0.875501D+01
               156           157           158           159           160 
      1  -0.921121D+01 -0.713932D+01  0.860158D+00  0.114653D+00 -0.626054D+01
      2   0.147316D+02  0.405089D+01 -0.323026D+00 -0.223193D+01  0.112465D+02
      3  -0.552040D+01  0.308843D+01 -0.537132D+00  0.211727D+01 -0.498592D+01
      4   0.121735D+02  0.138482D+02 -0.113055D+02 -0.103536D+02  0.839579D+01
      5   0.305714D+02  0.138212D+02 -0.115918D+02 -0.112081D+02  0.223971D+02
      6  -0.993492D+01 -0.797629D+01  0.845710D+01  0.100083D+02 -0.749166D+01
               161           162           163           164           165 
      1   0.113236D+00  0.258787D+01 -0.120608D+02 -0.133937D+02 -0.131157D+02
      2  -0.188000D+01 -0.112024D+02  0.595213D+01  0.930417D+01  0.191190D+01
      3   0.176677D+01  0.861450D+01  0.610866D+01  0.408950D+01  0.112038D+02
      4  -0.636747D+01 -0.865341D+01  0.143420D+01 -0.465284D+00  0.830667D+00
      5  -0.856331D+01 -0.219685D+02  0.644822D+01  0.499700D+01  0.192981D+01
      6   0.746231D+01  0.858309D+01  0.939402D+01  0.105399D+02  0.748545D+01
               166           167           168           169           170 
      1  -0.107348D+02 -0.171574D+02 -0.921512D+01 -0.660262D+01 -0.531564D+01
      2   0.788203D+01  0.127228D+02  0.279011D+01  0.866936D+00  0.104776D+01
      3   0.285272D+01  0.443467D+01  0.642501D+01  0.573569D+01  0.426788D+01
      4   0.163523D+01 -0.276362D+01 -0.373571D+01  0.148156D+01 -0.190860D+01
      5   0.688713D+01  0.473129D+00 -0.154663D+01  0.457650D+01  0.353414D+00
      6   0.676182D+01  0.132306D+02  0.112988D+02  0.403893D+01  0.789805D+01
               171           172           173           174           175 
      1  -0.807770D+01 -0.148975D+02 -0.254324D+02 -0.127381D+01 -0.164287D+02
      2   0.142317D+00  0.168915D+02  0.291517D+02  0.110141D+01  0.164729D+02
      3   0.793538D+01 -0.199400D+01 -0.371923D+01  0.172401D+00 -0.442121D-01
      4  -0.351313D+00  0.462021D+01  0.375209D+00  0.252114D+01  0.612632D+01
      5   0.744349D+00 -0.480071D+01 -0.171515D+01 -0.175259D+01 -0.240077D+01
      6   0.595620D+01  0.188632D+00 -0.355870D+01  0.539198D+01 -0.149851D+01
               176           177           178           179           180 
      1  -0.283977D+02 -0.783395D+00 -0.349997D+01 -0.255631D+01 -0.527634D+01
      2   0.390396D+02  0.213301D+01  0.157292D+01  0.569611D+01  0.344843D+01
      3  -0.106419D+02 -0.134961D+01  0.192705D+01 -0.313981D+01  0.182792D+01
      4  -0.782756D+01 -0.820612D+00  0.313220D+01 -0.372285D+01 -0.540943D+00
      5  -0.350841D+01 -0.184705D+01  0.217692D+00 -0.204841D+01  0.183879D+01
      6  -0.278398D+01  0.525061D+01  0.246243D+01  0.551013D+01 -0.699734D+00
               181           182           183           184           185 
      1   0.447565D+02 -0.185207D+02 -0.792772D+01 -0.147891D+02  0.539898D+01
      2  -0.801730D+01 -0.321715D+01  0.135913D+01 -0.269442D+01  0.119745D+02
      3  -0.367392D+02  0.217378D+02  0.656859D+01  0.174835D+02 -0.173734D+02
      4  -0.511745D+02  0.360027D+02  0.788301D+01  0.293533D+02 -0.269794D+02
      5  -0.372188D+01  0.114015D+01  0.992114D+01  0.153169D+01 -0.319782D+01
      6   0.382772D+01 -0.174985D+01 -0.715428D+01 -0.182284D+01  0.251745D+01
               186           187           188           189           190 
      1   0.110446D+01 -0.123954D+02  0.300927D+01  0.580253D+01  0.395640D+01
      2   0.269884D+01  0.700118D+00  0.539596D+01 -0.259239D+01 -0.239339D+01
      3  -0.380330D+01  0.116953D+02 -0.840522D+01 -0.321015D+01 -0.156302D+01
      4  -0.639159D+01  0.169811D+02 -0.152078D+02 -0.961898D+01 -0.663706D+01
      5  -0.310897D+01  0.991400D+01 -0.566861D+01 -0.436575D+01  0.711556D+01
      6   0.391048D+01 -0.740808D+01  0.475022D+01  0.340999D+01 -0.304672D+01
               191           192           193           194           195 
      1  -0.430197D+01  0.435223D+01 -0.585203D+00 -0.233396D+01  0.254748D+01
      2   0.243964D+01 -0.468733D+01 -0.367626D-01 -0.723181D-01 -0.433651D+01
      3   0.186233D+01  0.335101D+00  0.621966D+00  0.240628D+01  0.178903D+01
      4   0.469568D+01 -0.266538D+01  0.243763D+01  0.112214D+01  0.337755D+01
      5  -0.111489D+01  0.104309D+02  0.124662D+01  0.353335D+01  0.227717D+01
      6   0.466756D+00 -0.371927D+01  0.324205D+00 -0.161665D+01  0.482836D+01
               196           197           198           199           200 
      1   0.386856D+01  0.471330D+01 -0.990526D+01 -0.153426D+01 -0.860448D+00
      2  -0.626212D+01 -0.469732D+01 -0.174600D+02  0.158805D+01  0.704552D+00
      3   0.239356D+01 -0.159817D-01  0.273652D+02 -0.537896D-01  0.155896D+00
      4  -0.567838D+01  0.820374D+01 -0.881095D+01 -0.193499D+00  0.133458D+01
      5   0.155965D+02 -0.631219D+01  0.436246D+02  0.390199D+00 -0.497033D+00
      6  -0.744653D+01  0.986940D+01 -0.301456D+02 -0.666229D+00  0.171794D+00
               201           202           203           204           205 
      1   0.112016D+01 -0.158085D+01 -0.207014D+01  0.509176D+01  0.525421D+01
      2  -0.693865D+00 -0.230865D+01  0.132527D+01 -0.270727D+01 -0.269059D+01
      3  -0.426295D+00  0.388951D+01  0.744874D+00 -0.238449D+01 -0.256362D+01
      4  -0.723411D+00  0.759925D+00 -0.138962D+01  0.201774D+01 -0.456133D+00
      5   0.240237D+01 -0.639954D+00  0.115869D+01 -0.810649D+00  0.167366D+01
      6   0.922556D-01  0.108684D+01 -0.370752D+01  0.373834D+01  0.701169D+00
               206           207           208           209           210 
      1   0.613899D+01 -0.126349D+02  0.206774D+01  0.252477D+01 -0.593705D+01
      2  -0.435274D+01  0.106466D+01 -0.317449D+01 -0.139938D+01  0.231425D+01
      3  -0.178625D+01  0.115702D+02  0.110676D+01 -0.112539D+01  0.362279D+01
      4   0.201279D+01 -0.306716D+01  0.275918D+01  0.136963D+01 -0.156395D+01
      5  -0.188796D+01  0.433823D+01 -0.543274D+01 -0.174178D+01  0.423167D+01
      6   0.497574D+01 -0.722713D+01 -0.196535D+01  0.201489D+00  0.443332D+00
               211           212           213           214           215 
      1   0.240839D+01 -0.435554D+01  0.442760D+01 -0.239822D+01  0.478969D+01
      2  -0.427262D+01  0.689836D+00  0.157772D+01  0.350922D+01  0.179372D+00
      3   0.186423D+01  0.366571D+01 -0.600533D+01 -0.111100D+01 -0.496906D+01
      4  -0.194226D+01  0.183621D+01 -0.266344D+01 -0.359977D+01 -0.356496D+01
      5  -0.509541D+01 -0.371248D+01  0.695057D+01  0.724555D+01  0.578671D+01
      6   0.137343D+01 -0.326848D+01  0.439624D+01  0.247309D+01  0.621800D+01
               216           217           218           219           220 
      1  -0.189219D+02  0.160470D+02 -0.684609D+01 -0.717232D+01 -0.182466D+02
      2  -0.733898D+01 -0.115435D+02  0.418359D+01  0.570842D+01  0.119821D+02
      3   0.262609D+02 -0.450352D+01  0.266249D+01  0.146390D+01  0.626449D+01
      4   0.448988D+01 -0.755741D+01  0.356264D+01  0.535080D+01  0.120536D+02
      5  -0.209467D+02 -0.895753D+01  0.616268D+01  0.120952D+02  0.156079D+02
      6  -0.657799D+01  0.278638D+01 -0.442180D+00 -0.758727D+00 -0.412323D+01
               221           222           223           224           225 
      1   0.110679D+01  0.496011D+01 -0.210627D+02 -0.174261D+00  0.891939D+01
      2  -0.155184D+01 -0.964747D+01  0.169472D+02 -0.526279D+01 -0.227115D+02
      3   0.445055D+00  0.468737D+01  0.411553D+01  0.543705D+01  0.137921D+02
      4  -0.136597D+02 -0.202156D+02  0.491400D+01 -0.192110D+02 -0.169406D+02
      5  -0.189684D+02 -0.256635D+02  0.329593D+02 -0.155761D+02 -0.584801D+02
      6   0.575906D+01  0.881626D+01 -0.251324D+01  0.704213D+01  0.650980D+01
               226           227           228           229           230 
      1   0.102595D+03  0.180083D+01  0.239588D+02 -0.616383D+01  0.962584D+01
      2  -0.489785D+02  0.222406D+00 -0.103373D+02  0.414608D+01 -0.296335D+01
      3  -0.536166D+02 -0.202324D+01 -0.136214D+02  0.201775D+01 -0.666248D+01
      4   0.650374D+01  0.130517D+02  0.275625D+01  0.145677D+02  0.330525D+01
      5   0.198774D+02  0.186756D+01  0.170943D+02  0.884172D+00  0.180718D+01
      6   0.315582D+01 -0.894770D-01  0.188677D+01  0.200354D+00 -0.549899D+00
               231           232           233           234           235 
      1   0.475423D+00  0.495568D+02  0.286013D+01  0.197947D+02  0.251698D+01
      2  -0.920505D+00 -0.234376D+02 -0.137022D+01 -0.111355D+02  0.365660D+00
      3   0.445083D+00 -0.261191D+02 -0.148991D+01 -0.865924D+01 -0.288264D+01
      4   0.223626D+01  0.532117D+01  0.693490D+01 -0.277199D-02  0.422059D+01
      5  -0.277598D+01  0.228211D+02 -0.589142D+00  0.164947D+02  0.267491D+01
      6   0.218597D+01  0.252717D+01  0.175158D+01  0.256569D+01 -0.219955D+01
               236           237           238           239           240 
      1   0.947317D+01  0.202393D+00  0.196941D+02 -0.107083D+02  0.343077D+01
      2  -0.637551D+01  0.185265D+00 -0.560055D+01  0.237995D+02 -0.512251D+01
      3  -0.309766D+01 -0.387658D+00 -0.140936D+02 -0.130912D+02  0.169174D+01
      4  -0.268795D+00  0.158663D+01  0.205777D+02  0.620331D+02 -0.214397D+02
      5   0.801088D+00  0.471415D-01 -0.839388D+01 -0.197234D+02  0.141563D+02
      6   0.137266D+01 -0.157736D+01 -0.433552D+01 -0.173857D+02  0.113535D+02
               241           242           243 
      1  -0.458421D+01  0.412929D+01  0.630902D+00
      2   0.270480D+01 -0.337278D+01 -0.115231D+01
      3   0.187940D+01 -0.756507D+00  0.521408D+00
      4  -0.357096D+01 -0.164516D+02  0.114386D+02
      5   0.122419D+02  0.116543D+02 -0.176361D+02
      6   0.184121D+01  0.991503D+01 -0.628740D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.123407D+01      0.313669D+01      0.104629D+02
   x         -0.691470D+00     -0.175754D+01     -0.586253D+01
   y          0.308382D+00      0.783828D+00      0.261457D+01
   z         -0.974522D+00     -0.247699D+01     -0.826234D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.125130D+03      0.185423D+02      0.206311D+02
   aniso      0.566247D+02      0.839092D+01      0.933616D+01
   xx         0.161954D+03      0.239991D+02      0.267026D+02
   yx         0.539450D+01      0.799383D+00      0.889434D+00
   yy         0.104291D+03      0.154544D+02      0.171953D+02
   zx        -0.277386D+01     -0.411043D+00     -0.457347D+00
   zy        -0.301374D+01     -0.446590D+00     -0.496899D+00
   zz         0.109144D+03      0.161735D+02      0.179955D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.133472D+03      0.197784D+02      0.220065D+02
   aniso      0.609262D+02      0.902833D+01      0.100454D+02
   xx         0.173201D+03      0.256657D+02      0.285570D+02
   yx         0.564181D+01      0.836030D+00      0.930209D+00
   yy         0.111455D+03      0.165159D+02      0.183764D+02
   zx        -0.299436D+01     -0.443719D+00     -0.493704D+00
   zy        -0.284379D+01     -0.421406D+00     -0.468877D+00
   zz         0.115759D+03      0.171537D+02      0.190861D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -4.47003587         -1.55170563         -0.14292920
     6         -3.17181872         -0.51541034          2.21084510
     6         -0.77111491          1.15060717          1.59450997
     6          0.66859704          0.65979770         -0.74467458
     6          3.10824202          0.02707780         -0.85801554
     6          4.40266170         -0.45926070         -3.29830993
     8          3.32022049         -0.31998661         -5.31906242
     6         -2.72446495         -2.60046238          4.12911090
     6         -4.47705279          1.93040096          3.18411819
     6         -2.50220805          3.51604622          1.73593716
     6          7.17124817         -1.14545872         -3.12985568
     1         -4.28457458          2.13565878          5.22637184
     1         -6.45807385          2.18504040          2.67893685
     1          0.49184684          1.10174215          3.22626510
     1         -3.16702927          4.07854473         -0.13092037
     1         -1.71674391          5.16969495          2.67562958
     1         -4.83542943         -0.07993794         -1.54017085
     1         -6.28577299         -2.38877203          0.37077317
     1         -3.32727180         -3.01218529         -1.04791291
     1         -1.50561697         -4.07288662          3.34530268
     1         -4.50723066         -3.48641399          4.68169538
     1         -1.82450685         -1.86588607          5.83436726
     1         -0.33566003          0.81103852         -2.52907238
     1          4.21987844         -0.14603612          0.85714660
     1          8.22104849          0.36948520         -2.19585100
     1          7.93654250         -1.46694317         -5.00912134
     1          7.41248586         -2.84206233         -1.97536526

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.123407D+01      0.313669D+01      0.104629D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.123407D+01      0.313669D+01      0.104629D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.125130D+03      0.185423D+02      0.206311D+02
   aniso      0.566247D+02      0.839092D+01      0.933616D+01
   xx         0.148545D+03      0.220120D+02      0.244917D+02
   yx        -0.848723D+01     -0.125768D+01     -0.139936D+01
   yy         0.104200D+03      0.154408D+02      0.171802D+02
   zx        -0.220757D+02     -0.327128D+01     -0.363979D+01
   zy         0.362876D+01      0.537726D+00      0.598301D+00
   zz         0.122645D+03      0.181742D+02      0.202215D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.133472D+03      0.197784D+02      0.220065D+02
   aniso      0.609262D+02      0.902833D+01      0.100454D+02
   xx         0.158533D+03      0.234922D+02      0.261385D+02
   yx        -0.890147D+01     -0.131906D+01     -0.146765D+01
   yy         0.111465D+03      0.165173D+02      0.183780D+02
   zx        -0.241249D+02     -0.357494D+01     -0.397766D+01
   zy         0.390277D+01      0.578331D+00      0.643480D+00
   zz         0.130417D+03      0.193258D+02      0.215029D+02

 ----------------------------------------------------------------------
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 THE MEEK SHALL INHERIT THE EARTH.
 (THE REST OF US WILL ESCAPE TO THE STARS)
 Job cpu time:       0 days 17 hours 39 minutes 26.9 seconds.
 Elapsed time:       0 days  2 hours 12 minutes 30.6 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:21:40 2021.
